UCSF

ZINC21812246

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 1.09 3.97 -55.24 4 4 1 74 309.386 4
Hi High (pH 8-9.5) 1.08 3.74 -45.93 2 4 -1 74 307.37 4
Mid Mid (pH 6-8) 1.09 4.01 -71.03 3 4 0 76 308.378 4

Activity (Go SEA)

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