UCSF

ZINC34823015

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 16 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) 1.10 5.74 -38.27 2 4 1 38 223.344 4
Hi High (pH 8-9.5) 1.10 4.48 -6.31 1 4 0 33 222.336 4

Activity (Go SEA)

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