UCSF

ZINC19685468

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 14 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) 1.90 4.88 -40.37 2 2 1 20 193.314 6
Hi High (pH 8-9.5) 1.90 5.54 -32.45 2 2 1 16 193.314 6
Hi High (pH 8-9.5) 1.90 3.42 -1.95 1 2 0 15 192.306 6
Lo Low (pH 4.5-6) 1.90 7.11 -113.87 3 2 2 21 194.322 6

Activity (Go SEA)

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