UCSF

ZINC00298286

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 20 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) 3.46 7.87 -18.35 1 4 0 55 281.34 3
Mid Mid (pH 6-8) 3.53 6.97 -49.96 0 4 -1 61 280.332 3

Activity (Go SEA)

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