UCSF

ZINC54743911

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2010 16 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) -0.20 4.93 -64.49 1 7 0 90 221.22 4
Mid Mid (pH 6-8) -0.20 4.56 -53.96 0 7 -1 89 220.212 4

Activity (Go SEA)

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