UCSF

ZINC00389291

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 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) 0.57 2.13 -11 4 6 0 96 220.232 2
Mid Mid (pH 6-8) 0.57 2.49 -29.9 5 6 1 98 221.24 2
Mid Mid (pH 6-8) 0.57 -3.22 -29.84 5 6 1 98 221.24 2

Activity (Go SEA)

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