UCSF

ZINC02407033

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 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) 4.81 15.11 -17.72 2 7 0 81 453.546 7
Hi High (pH 8-9.5) 4.99 15.63 -17.46 2 7 0 84 453.546 7

Activity (Go SEA)

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