UCSF

ZINC36999979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 3.15 7.26 -4.34 1 2 0 25 305.219 5
Lo Low (pH 4.5-6) 3.15 7.72 -32.56 2 2 1 26 306.227 5
Lo Low (pH 4.5-6) 3.15 8.46 -46.41 2 2 1 29 306.227 5

Activity (Go SEA)

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