UCSF

ZINC00985703

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 30 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) 5.50 11.13 -48.3 3 4 1 51 403.477 5
Mid Mid (pH 6-8) 5.50 10.05 -7.36 2 4 0 46 402.469 5

Activity (Go SEA)

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