UCSF

ZINC34955737

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 17 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) 0.97 1.9 -16.74 1 4 0 59 264.228 3
Hi High (pH 8-9.5) 0.97 0.87 -37.67 0 4 -1 61 263.22 3

Activity (Go SEA)

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