UCSF

ZINC37251161

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 18 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) 3.50 4.94 -37.97 2 3 1 47 288.198 2
Mid Mid (pH 6-8) 3.50 3.94 -5.4 1 3 0 45 287.19 2

Activity (Go SEA)

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