UCSF

ZINC42164541

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 17 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) 0.38 4.5 -73.9 3 5 0 88 242.319 6
Hi High (pH 8-9.5) 0.38 4.21 -51.81 2 5 -1 86 241.311 6

Activity (Go SEA)

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