UCSF

ZINC36777323

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.05 2.1 -44.45 3 3 1 44 194.302 5
Mid Mid (pH 6-8) 0.05 2.13 -86.96 4 3 2 45 195.31 5
Mid Mid (pH 6-8) 0.05 4.12 -35.07 3 3 1 43 194.302 5

Activity (Go SEA)

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