UCSF

ZINC44132321

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 19 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) 1.90 2.62 -6.6 1 4 0 46 261.321 3
Mid Mid (pH 6-8) 1.90 4.83 -37.97 2 4 1 47 262.329 3

Activity (Go SEA)

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