UCSF

ZINC42809790

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 0.21 -3.16 -13.35 3 8 0 125 338.407 7
Mid Mid (pH 6-8) 0.21 -3.1 -42.2 2 8 -1 127 337.399 7

Activity (Go SEA)

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