UCSF

ZINC34615844

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 0.66 9.75 -59.34 0 4 -1 62 290.245 3
Lo Low (pH 4.5-6) 0.66 7.73 -10.26 1 4 0 59 291.253 3

Activity (Go SEA)

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