UCSF

ZINC23382321

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 30 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) 4.18 14.07 -13.29 1 6 0 67 406.461 4
Lo Low (pH 4.5-6) 4.18 14.52 -37.61 2 6 1 68 407.469 4

Activity (Go SEA)

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