UCSF

ZINC04757335

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 29 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) 5.05 11.48 -32.36 2 6 1 65 394.495 7
Mid Mid (pH 6-8) 5.05 11.13 -16.44 1 6 0 64 393.487 7

Activity (Go SEA)

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