UCSF

ZINC69972199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) 1.67 4.29 -3.97 0 3 0 25 220.316 2
Lo Low (pH 4.5-6) 1.67 4.75 -34.4 1 3 1 27 221.324 2
Lo Low (pH 4.5-6) 1.67 6.06 -37.18 1 3 1 27 221.324 2

Activity (Go SEA)

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