UCSF

ZINC04736827

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 28 No

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) 3.55 7.43 -24.27 2 6 0 80 392.484 6
Ref Reference (pH 7) 3.55 7.16 -27.19 2 6 0 80 392.484 6
Mid Mid (pH 6-8) 3.61 -4.68 -40.12 2 6 1 79 393.492 6

Activity (Go SEA)

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