UCSF

ZINC20785456

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 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) 1.33 4.33 -37.02 2 4 1 41 286.399 4
Mid Mid (pH 6-8) 1.33 4.3 -41.09 2 4 1 41 286.399 4
Mid Mid (pH 6-8) 1.33 1.96 -9.63 1 4 0 40 285.391 4
Lo Low (pH 4.5-6) 1.33 4.64 -88.08 3 4 2 42 287.407 4

Activity (Go SEA)

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