UCSF

ZINC00201205

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 24 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) 5.25 1.9 -8.8 1 4 0 42 341.773 3
Mid Mid (pH 6-8) 1.51 2.08 -31.15 2 4 1 45 342.781 3

Activity (Go SEA)

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