UCSF

ZINC09374909

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 33 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.53 10.49 -61.78 0 6 -1 79 448.539 8
Mid Mid (pH 6-8) 3.95 0.26 -11.9 0 6 0 72 449.547 8
Mid Mid (pH 6-8) 4.98 11.18 -12.21 1 6 0 76 449.547 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )