UCSF

ZINC00343577

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 24 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) 4.20 10.78 -37 2 3 1 34 323.46 3
Mid Mid (pH 6-8) 4.20 9.21 -9.37 1 3 0 32 322.452 3

Activity (Go SEA)

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