UCSF

ZINC34680874

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 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) 3.13 11.83 -20.09 1 6 0 66 432.499 5
Mid Mid (pH 6-8) 3.13 12.11 -50.64 2 6 1 67 433.507 5

Activity (Go SEA)

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