UCSF

ZINC36576374

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2009 32 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) 1.53 10.42 -52.01 2 7 1 76 441.596 5

Activity (Go SEA)

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