UCSF

ZINC19532067

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 25 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) 3.05 9.54 -42.52 1 4 1 26 341.475 7
Mid Mid (pH 6-8) 3.05 9.48 -43.15 1 4 1 26 341.475 7
Mid Mid (pH 6-8) 3.05 7.16 -6.97 0 4 0 25 340.467 7

Activity (Go SEA)

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