UCSF

ZINC34384875

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 17 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) 3.51 6.56 -36.19 2 2 1 26 239.22 3
Mid Mid (pH 6-8) 3.51 6.1 -4.89 1 2 0 25 238.212 3

Activity (Go SEA)

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