UCSF

ZINC44132078

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 2.23 2.91 -5.71 1 4 0 42 291.391 2
Mid Mid (pH 6-8) 2.23 4.99 -35.3 2 4 1 43 292.399 2

Activity (Go SEA)

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