UCSF

ZINC44809795

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 21 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) 3.68 7.23 -13.9 1 5 0 75 303.387 6
Hi High (pH 8-9.5) 3.86 5.61 -42.85 0 5 -1 81 302.379 6

Activity (Go SEA)

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