UCSF

ZINC02379161

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 12 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) 0.17 -1.82 -10.73 1 3 0 41 162.192 1
Lo Low (pH 4.5-6) 0.17 -1.71 -39.86 2 3 1 43 163.2 1

Activity (Go SEA)

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