UCSF

ZINC04418643

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) 6.68 12.46 -11.45 2 3 0 49 388.47 4
Mid Mid (pH 6-8) 6.68 12.9 -30.42 3 3 1 50 389.478 4

Activity (Go SEA)

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