UCSF

ZINC37987915

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 3.35 4.18 -46.31 0 5 -1 70 325.797 6
Lo Low (pH 4.5-6) 3.35 3.74 -12.06 1 5 0 68 326.805 6

Activity (Go SEA)

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