UCSF

ZINC32553281

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2009 15 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) 1.27 5.7 -117.32 4 2 2 32 210.296 3
Mid Mid (pH 6-8) 1.27 3.91 -45.12 3 2 1 31 209.288 3

Activity (Go SEA)

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