UCSF

ZINC22441595

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 32 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) 5.07 14.04 -49.74 1 4 1 26 431.6 9
Mid Mid (pH 6-8) 5.07 13.6 -46.35 1 4 1 26 431.6 9
Mid Mid (pH 6-8) 5.07 11.65 -7.6 0 4 0 25 430.592 9

Activity (Go SEA)

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