UCSF

ZINC42450510

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) -0.42 -2.12 -45.18 4 4 1 60 203.306 4
Hi High (pH 8-9.5) -0.42 -2.6 -3.74 3 4 0 59 202.298 4
Mid Mid (pH 6-8) -0.42 -0.24 -105.54 5 4 2 62 204.314 4

Activity (Go SEA)

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