UCSF

ZINC32100207

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 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) 0.46 6.6 -63.19 1 5 0 65 242.319 5
Hi High (pH 8-9.5) 0.46 4.39 -56.11 0 5 -1 64 241.311 5

Activity (Go SEA)

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