UCSF

ZINC33611403

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 13 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) 1.00 4.08 -34.03 1 3 1 17 189.323 8
Mid Mid (pH 6-8) 1.00 6.57 -92.45 2 3 2 18 190.331 8
Mid Mid (pH 6-8) 1.00 4.05 -31.88 1 3 1 17 189.323 8

Activity (Go SEA)

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