UCSF

ZINC35728216

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 15 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) 0.35 0.21 -46.93 4 4 1 60 212.317 1
Hi High (pH 8-9.5) 0.35 0.24 -6.08 3 4 0 58 211.309 1
Mid Mid (pH 6-8) 0.35 1.38 -115.75 5 4 2 65 213.325 1
Mid Mid (pH 6-8) 0.35 1.58 -44.81 4 4 1 63 212.317 1

Activity (Go SEA)

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