UCSF

ZINC34699256

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 33 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) 5.89 16.85 -53.49 1 3 1 25 445.602 7
Mid Mid (pH 6-8) 5.89 14.25 -8.93 0 3 0 24 444.594 7

Activity (Go SEA)

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