UCSF

ZINC34678963

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 34 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) 0.97 6.6 -22.03 2 9 0 109 460.538 8
Lo Low (pH 4.5-6) 0.97 7.06 -54.65 3 9 1 110 461.546 8

Activity (Go SEA)

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