UCSF

ZINC55341432

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 27 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) 4.28 12.93 -37.02 1 2 1 8 365.516 3
Hi High (pH 8-9.5) 4.28 10.5 -4.7 0 2 0 6 364.508 3
Mid Mid (pH 6-8) 4.28 12.61 -37.09 1 2 1 8 365.516 3

Activity (Go SEA)

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