UCSF

ZINC32021119

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 14 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) 1.91 5.17 -50.49 2 3 1 37 199.318 5
Mid Mid (pH 6-8) 1.91 3.79 -7.81 1 3 0 32 198.31 5

Activity (Go SEA)

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