UCSF

ZINC42595799

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 1.88 0.91 -10.03 2 5 0 79 278.399 5
Mid Mid (pH 6-8) 2.34 -1.65 -42.9 1 5 -1 82 277.391 5

Activity (Go SEA)

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