UCSF

ZINC42819582

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 0.76 3.73 -99.38 4 4 2 51 246.395 8
Hi High (pH 8-9.5) 0.76 2.23 -33.11 3 4 1 46 245.387 8
Mid Mid (pH 6-8) 0.76 4.27 -41.32 3 4 1 53 245.387 8

Activity (Go SEA)

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