UCSF

ZINC37451629

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) -3.07 -1.63 -62.1 3 8 -1 135 254.222 4
Mid Mid (pH 6-8) -2.61 -4 -136.15 2 8 -2 138 253.214 4

Activity (Go SEA)

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