UCSF

ZINC36996925

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 18 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) 2.58 6.95 -34.03 2 3 1 30 249.378 3
Hi High (pH 8-9.5) 2.58 4.7 -3.6 1 3 0 28 248.37 3
Lo Low (pH 4.5-6) 2.58 8.15 -102.93 3 3 2 34 250.386 3

Activity (Go SEA)

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