UCSF

ZINC34154902

Substance Information

In ZINC since Heavy atoms Benign functionality
August 11th, 2009 13 No

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) -2.81 -5.93 -10.76 6 5 0 110 182.179 2
Lo Low (pH 4.5-6) -2.81 -5.6 -50.95 7 5 1 111 183.187 2

Activity (Go SEA)

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