UCSF

ZINC37108048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 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) 2.45 8.55 -35.84 2 3 1 30 291.459 3
Lo Low (pH 4.5-6) 2.45 9.54 -107.76 3 3 2 34 292.467 3
Lo Low (pH 4.5-6) 2.45 7.31 -37.1 2 3 1 33 291.459 3

Activity (Go SEA)

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