UCSF

ZINC19528120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 22 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) 1.08 7.04 -45.05 1 5 1 45 302.398 3
Mid Mid (pH 6-8) 1.08 4.77 -10.23 0 5 0 44 301.39 3
Mid Mid (pH 6-8) 1.08 4.77 -10.24 0 5 0 44 301.39 3

Activity (Go SEA)

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