UCSF

ZINC00899592

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 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) 3.23 4.49 -8.21 2 4 0 67 270.284 1
Hi High (pH 8-9.5) 3.23 5.48 -50.04 1 4 -1 70 269.276 1

Activity (Go SEA)

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