UCSF

ZINC14521339

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 27 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) 1.16 3.34 -51.41 3 8 1 96 390.489 5
Mid Mid (pH 6-8) 1.16 0.88 -18.13 2 8 0 95 389.481 5

Activity (Go SEA)

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