UCSF

ZINC34597324

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 15 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) 1.73 6.46 -37.55 2 3 1 29 208.329 6
Hi High (pH 8-9.5) 1.73 4.35 -4.12 1 3 0 28 207.321 6
Lo Low (pH 4.5-6) 1.73 6.88 -84.17 3 3 2 31 209.337 6

Activity (Go SEA)

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