UCSF

ZINC34547993

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 1.61 4.76 -37.48 2 2 1 29 189.282 1
Hi High (pH 8-9.5) 1.61 3.83 -3.93 1 2 0 25 188.274 1
Lo Low (pH 4.5-6) 1.61 5.23 -96.68 3 2 2 31 190.29 1

Activity (Go SEA)

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