UCSF

ZINC09052963

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 28 Yes

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) 4.51 1.97 -14.06 1 6 0 81 375.38 5

Activity (Go SEA)

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