UCSF

ZINC34462551

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 18 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) 0.42 7.12 -75.17 0 5 -1 71 246.242 4
Mid Mid (pH 6-8) -2.01 5.2 -37.5 1 5 0 73 247.25 4

Activity (Go SEA)

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