UCSF

ZINC40091281

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 23 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) 1.14 1.14 -12.29 2 6 0 71 322.405 6
Mid Mid (pH 6-8) 1.14 3.31 -43.83 3 6 1 72 323.413 6

Activity (Go SEA)

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