UCSF

ZINC42915260

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 1.61 2.8 -47.09 3 3 1 40 255.357 6
Mid Mid (pH 6-8) 1.61 4.64 -112.52 4 3 2 41 256.365 6

Activity (Go SEA)

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