UCSF

ZINC43232025

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.59 4.21 -43.62 3 4 1 49 265.425 7
Mid Mid (pH 6-8) 1.59 5.71 -110.06 4 4 2 50 266.433 7
Mid Mid (pH 6-8) 1.59 5.44 -32.4 3 4 1 48 265.425 7

Activity (Go SEA)

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