UCSF

ZINC19564090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2008 31 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) 1.00 4.1 -60.15 0 8 -1 95 422.461 7
Mid Mid (pH 6-8) 1.00 6.44 -71.77 1 8 0 96 423.469 7
Lo Low (pH 4.5-6) 1.00 5.61 -56.12 2 8 1 93 424.477 7

Activity (Go SEA)

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