UCSF

ZINC44024496

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 2.14 5.79 -37.81 3 4 1 55 256.329 5
Mid Mid (pH 6-8) 2.14 5.31 -12.2 2 4 0 54 255.321 5

Activity (Go SEA)

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