UCSF

ZINC61820716

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 3.17 9.31 -43.06 1 2 1 22 250.337 3
Mid Mid (pH 6-8) 3.17 7.13 -10.67 0 2 0 20 249.329 3

Activity (Go SEA)

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