UCSF

ZINC70513998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 2.50 4.69 -90.15 4 4 2 45 303.535 13
Mid Mid (pH 6-8) 2.50 5.48 -76.84 4 4 2 45 303.535 13
Mid Mid (pH 6-8) 2.50 7.17 -174.54 5 4 3 46 304.543 13

Activity (Go SEA)

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