UCSF

ZINC44114271

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 3.23 7.24 -34.09 2 3 1 28 291.459 7
Mid Mid (pH 6-8) 3.23 4.97 -3.41 1 3 0 27 290.451 7

Activity (Go SEA)

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