UCSF

ZINC29518872

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 34 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) 3.04 8.7 -14.23 0 7 0 60 472.467 5
Mid Mid (pH 6-8) 3.04 11.04 -57.45 1 7 1 61 473.475 5

Activity (Go SEA)

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