UCSF

ZINC37822796

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.23 2.46 -44.27 3 4 1 51 238.355 4
Mid Mid (pH 6-8) 0.23 2.16 -7.17 2 4 0 50 237.347 4
Lo Low (pH 4.5-6) 0.23 4.72 -100.93 4 4 2 52 239.363 4

Activity (Go SEA)

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