UCSF

ZINC19872599

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 31 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) 5.29 9.12 -55 1 7 -1 89 432.529 6
Mid Mid (pH 6-8) 5.29 9.65 -14.67 2 7 0 87 433.537 6
Lo Low (pH 4.5-6) 5.29 10.45 -75.88 3 7 0 88 434.545 6

Activity (Go SEA)

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