UCSF

ZINC37102988

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) 3.50 5.16 -35.44 3 5 1 72 296.387 8
Mid Mid (pH 6-8) 3.50 4.45 -7.64 2 5 0 68 295.379 8

Activity (Go SEA)

Rings

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