UCSF

ZINC19721401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 24 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) 4.01 8.9 -28.15 1 3 1 21 318.444 3
Mid Mid (pH 6-8) 4.01 11.22 -87.17 2 3 2 22 319.452 3

Activity (Go SEA)

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