UCSF

ZINC44651569

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 17 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) 2.80 5.31 -46.27 3 4 1 59 256.395 6
Hi High (pH 8-9.5) 3.36 3.03 -7.52 2 4 0 57 255.387 5
Mid Mid (pH 6-8) 2.61 4.05 -36.61 2 4 0 65 255.387 6

Activity (Go SEA)

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