UCSF

ZINC43425359

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.15 4.06 -13.32 0 5 0 57 265.357 5
Mid Mid (pH 6-8) 0.15 6.29 -48.43 1 5 1 58 266.365 5

Activity (Go SEA)

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