UCSF

ZINC44122178

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 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) 1.98 5.44 -36.27 2 2 1 25 194.298 3
Hi High (pH 8-9.5) 1.98 2.99 -3.71 1 2 0 23 193.29 3

Activity (Go SEA)

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