UCSF

ZINC37097976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 1.45 2.22 -42.7 3 2 1 31 159.297 6
Mid Mid (pH 6-8) 1.45 4.06 -116.61 4 2 2 32 160.305 6
Mid Mid (pH 6-8) 1.45 4.39 -27.65 3 2 1 30 159.297 6

Activity (Go SEA)

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