UCSF

ZINC34977088

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.18 1.9 -47.73 0 4 -1 66 216.216 2
Mid Mid (pH 6-8) 1.72 4.52 -13.78 1 4 0 63 217.224 2

Activity (Go SEA)

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