UCSF

ZINC34699012

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) 5.80 12.57 -10.73 0 4 0 37 442.603 7
Lo Low (pH 4.5-6) 5.80 15.12 -40.31 1 4 1 38 443.611 7

Activity (Go SEA)

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