UCSF

ZINC34983283

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 3.25 5.68 -5.48 1 2 0 17 255.148 0
Mid Mid (pH 6-8) 3.25 7.04 -49.42 2 2 1 22 256.156 0

Activity (Go SEA)

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