UCSF

ZINC00142038

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 23 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) 3.34 9.08 -31.8 1 5 1 53 335.811 4
Mid Mid (pH 6-8) 3.34 8.74 -4.65 0 5 0 52 334.803 4

Activity (Go SEA)

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