UCSF

ZINC58159891

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2011 32 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) 4.18 10.67 -52.54 2 6 1 71 452.6 8
Mid Mid (pH 6-8) 4.18 8.43 -15.12 1 6 0 70 451.592 8

Activity (Go SEA)

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