UCSF

ZINC61413593

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 20 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) 3.14 6.73 -64.48 3 2 1 41 271.29 2
Mid Mid (pH 6-8) 3.14 6.4 -10.25 2 2 0 39 270.282 2

Activity (Go SEA)

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