UCSF

ZINC36137215

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) 3.04 11 -58.27 0 4 -1 60 310.801 7
Lo Low (pH 4.5-6) 3.04 8.46 -7.38 1 4 0 58 311.809 7

Activity (Go SEA)

Rings

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