UCSF

ZINC37079616

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.30 5.28 -126.1 4 5 2 60 296.411 8
Mid Mid (pH 6-8) 1.30 5.35 -29.92 3 5 1 58 295.403 8
Mid Mid (pH 6-8) 1.30 3.13 -49.75 3 5 1 59 295.403 8

Activity (Go SEA)

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