UCSF

ZINC36673214

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 1.20 4.7 -49.5 2 4 1 44 232.307 1
Hi High (pH 8-9.5) 1.20 3.35 -11.63 1 4 0 39 231.299 1
Lo Low (pH 4.5-6) 1.20 5.22 -95.29 3 4 2 45 233.315 1

Activity (Go SEA)

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