UCSF

ZINC37049146

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 1.30 3.75 -104.62 5 5 2 64 298.475 6
Mid Mid (pH 6-8) 1.30 4.06 -90.91 5 5 2 64 298.475 6
Mid Mid (pH 6-8) 1.30 1.87 -46.4 4 5 1 63 297.467 6

Activity (Go SEA)

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