UCSF

ZINC32602375

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 1.85 6.49 -3.84 1 1 0 12 185.27 5
Mid Mid (pH 6-8) 1.85 7.76 -40.65 2 1 1 17 186.278 5

Activity (Go SEA)

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