UCSF

ZINC32202189

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 6.47 7 -7.09 2 2 0 40 312.453 2
Hi High (pH 8-9.5) 6.47 7.76 -48.05 1 2 -1 43 311.445 2

Activity (Go SEA)

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