UCSF

ZINC32500290

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 18 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) 0.42 5.77 -57 2 4 1 42 244.318 1
Mid Mid (pH 6-8) 0.42 4.38 -14.62 1 4 0 37 243.31 1

Activity (Go SEA)

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