UCSF

ZINC21773582

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 27 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) 3.89 9.66 -15.23 1 4 0 55 353.425 5
Mid Mid (pH 6-8) 3.96 8.22 -41.83 2 4 1 60 354.433 5
Lo Low (pH 4.5-6) 3.89 10.03 -47.99 2 4 1 56 354.433 5

Activity (Go SEA)

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