UCSF

ZINC43284399

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 17 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) 1.66 4.67 -99.92 4 3 2 35 320.3 3
Hi High (pH 8-9.5) 1.66 1.59 -2 2 3 0 32 318.284 3
Mid Mid (pH 6-8) 1.66 2.28 -39.84 3 3 1 34 319.292 3

Activity (Go SEA)

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