UCSF

ZINC00200571

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) 4.99 1.09 -7.67 1 4 0 42 314.392 3
Mid Mid (pH 6-8) 1.25 1.27 -26.24 2 4 1 44 315.4 3

Activity (Go SEA)

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