UCSF

ZINC34625946

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 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) 3.12 4.53 -6.94 1 2 0 37 192.258 1
Hi High (pH 8-9.5) 3.12 5.3 -48.84 0 2 -1 40 191.25 1

Activity (Go SEA)

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