UCSF

ZINC32665016

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 19 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) 3.30 9.51 -51.89 2 2 1 40 255.316 4
Hi High (pH 8-9.5) 3.30 8.34 -6.59 1 2 0 36 254.308 4

Activity (Go SEA)

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