UCSF

ZINC36042999

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2009 32 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) 4.08 8.79 -14.23 1 6 0 60 440.584 9
Mid Mid (pH 6-8) 4.08 11.24 -41.88 2 6 1 61 441.592 9

Activity (Go SEA)

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