UCSF

ZINC31848257

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 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) 3.13 5.65 -6.13 1 3 0 24 270.376 5
Mid Mid (pH 6-8) 3.13 7.97 -43.71 2 3 1 26 271.384 5

Activity (Go SEA)

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