UCSF

ZINC19883914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 32 No

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) 3.65 9.02 -56.35 0 6 -1 73 453.946 7
Mid Mid (pH 6-8) 3.65 11.35 -74.27 1 6 0 74 454.954 7
Lo Low (pH 4.5-6) 3.65 10.54 -53.84 2 6 1 71 455.962 7

Activity (Go SEA)

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