UCSF

ZINC19807758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) 3.19 5.03 -51.67 3 3 1 40 301.401 8
Mid Mid (pH 6-8) 3.19 6.84 -131.09 4 3 2 41 302.409 8
Mid Mid (pH 6-8) 3.19 6.53 -34.48 3 3 1 40 301.401 8

Activity (Go SEA)

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