UCSF

ZINC32100230

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 6.33 -65.64 1 5 0 65 242.319 5
Hi High (pH 8-9.5) 0.46 3.99 -58.08 0 5 -1 64 241.311 5

Activity (Go SEA)

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