UCSF

ZINC45648865

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) -1.69 6.68 -112.25 1 9 -2 139 302.283 10
Lo Low (pH 4.5-6) -1.69 4.62 -58.88 2 9 -1 136 303.291 10

Activity (Go SEA)

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