UCSF

ZINC33855342

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 13 No

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) 2.88 6.58 -40.9 2 1 1 17 194.323 1
Mid Mid (pH 6-8) 2.88 5.4 -3.79 1 1 0 12 193.315 1

Activity (Go SEA)

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