UCSF

ZINC37332086

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 18 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) 2.16 7.31 -35.09 1 3 1 25 247.362 4
Mid Mid (pH 6-8) 2.16 5.02 -6.12 0 3 0 24 246.354 4
Mid Mid (pH 6-8) 2.16 7.23 -38.24 1 3 1 25 247.362 4

Activity (Go SEA)

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