UCSF

ZINC36722221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 17 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) 1.01 1.73 -5.17 2 4 0 48 236.315 3
Lo Low (pH 4.5-6) 1.01 4.02 -32.01 3 4 1 49 237.323 3

Activity (Go SEA)

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