UCSF

ZINC72092501

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2012 33 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) 3.58 12 -51.47 1 6 1 64 447.534 7
Hi High (pH 8-9.5) 3.58 9.54 -12.99 0 6 0 62 446.526 7

Activity (Go SEA)

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