UCSF

ZINC19632998

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 19 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 7.75 -36.04 1 3 1 17 263.405 6
Mid Mid (pH 6-8) 3.13 7.62 -36.69 1 3 1 17 263.405 6
Mid Mid (pH 6-8) 3.13 5.28 -3.36 0 3 0 16 262.397 6

Activity (Go SEA)

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