UCSF

ZINC36683463

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 19 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) 1.76 5.21 -31.6 3 3 1 34 262.421 5
Hi High (pH 8-9.5) 1.76 5.81 -35.79 3 3 1 34 262.421 5
Lo Low (pH 4.5-6) 1.76 7.76 -107.45 4 3 2 35 263.429 5

Activity (Go SEA)

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