UCSF

ZINC01020508

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 26 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) 3.44 -1.63 -19.1 2 5 0 70 362.458 6
Lo Low (pH 4.5-6) 3.44 -1.45 -45.01 3 5 1 71 363.466 6

Activity (Go SEA)

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