UCSF

ZINC36160124

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 10 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) 1.10 1.89 -5.29 2 2 0 43 220.091 2
Mid Mid (pH 6-8) 1.10 2.28 -46.78 3 2 1 45 221.099 2

Activity (Go SEA)

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