UCSF

ZINC40436040

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 20 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) 2.95 6.04 -43.14 2 4 1 51 362.313 5
Hi High (pH 8-9.5) 2.95 3.8 -8.44 1 4 0 49 361.305 5

Activity (Go SEA)

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