UCSF

ZINC37795017

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.73 4.33 -54.11 2 7 -1 102 288.283 4
Lo Low (pH 4.5-6) 0.73 2.33 -16.52 3 7 0 99 289.291 4

Activity (Go SEA)

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