UCSF

ZINC34938149

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 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) 0.71 3.67 -45.94 3 5 1 62 267.378 6
Mid Mid (pH 6-8) 0.71 5.02 -121.66 4 5 2 67 268.386 6
Mid Mid (pH 6-8) 1.17 -0.09 -50.44 2 5 0 69 266.37 6

Activity (Go SEA)

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