UCSF

ZINC35411108

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) -0.61 3.96 -59.73 3 6 -1 108 250.278 7
Lo Low (pH 4.5-6) -0.61 4.29 -47.18 4 6 0 109 251.286 7

Activity (Go SEA)

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