UCSF

ZINC37097917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 8 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) 0.03 -0.09 -40.39 3 2 1 31 117.216 4
Mid Mid (pH 6-8) 0.03 2.23 -108.68 4 2 2 32 118.224 4
Mid Mid (pH 6-8) 0.03 1.84 -30.82 3 2 1 30 117.216 4

Activity (Go SEA)

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