UCSF

ZINC04312218

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 23 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) 2.49 7.71 -58.39 0 4 -1 60 310.304 3
Mid Mid (pH 6-8) 2.94 1.09 -16.4 1 4 0 57 311.312 2
Mid Mid (pH 6-8) 1.91 1.07 -10.93 0 4 0 54 311.312 3

Activity (Go SEA)

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