UCSF

ZINC07586825

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2006 23 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) 3.69 9.9 -51.96 0 4 -1 62 304.325 5
Lo Low (pH 4.5-6) 3.69 10.12 -66.54 1 4 0 63 305.333 5

Activity (Go SEA)

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