UCSF

ZINC23875202

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2009 24 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) 0.75 1.63 -23.4 2 7 0 97 349.412 7
Lo Low (pH 4.5-6) 0.75 2.1 -52.43 3 7 1 99 350.42 7

Activity (Go SEA)

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