UCSF

ZINC37855461

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 15 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) 1.84 6.42 -35.59 2 2 1 16 225.381 7
Hi High (pH 8-9.5) 1.84 3.94 -3.07 1 2 0 15 224.373 7
Mid Mid (pH 6-8) 1.84 5.29 -42.8 2 2 1 20 225.381 7
Mid Mid (pH 6-8) 1.84 7.76 -115.94 3 2 2 21 226.389 7

Activity (Go SEA)

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