UCSF

ZINC06803281

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 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) 3.61 11.11 -34.81 2 5 0 71 382.435 7
Hi High (pH 8-9.5) 3.61 9.76 -50.08 1 5 -1 66 381.427 7

Activity (Go SEA)

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