UCSF

ZINC34678984

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 38 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) 2.40 11.87 -21.92 1 9 0 100 516.646 11
Lo Low (pH 4.5-6) 2.40 12.19 -57.39 2 9 1 102 517.654 11

Activity (Go SEA)

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