UCSF

ZINC28250170

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 23 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) 3.33 2.11 -40.19 1 6 -1 94 438.732 5
Hi High (pH 8-9.5) 3.33 2.19 -94.61 0 6 -2 96 437.724 5
Mid Mid (pH 6-8) 3.33 2.05 -16.15 2 6 0 92 439.74 5
Mid Mid (pH 6-8) 3.33 1.95 -42.44 1 6 -1 94 438.732 5

Activity (Go SEA)

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