UCSF

ZINC32008468

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 1.47 5.32 -39.2 2 2 1 25 192.282 2
Mid Mid (pH 6-8) 1.47 2.95 -3.68 1 2 0 23 191.274 2

Activity (Go SEA)

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