UCSF

ZINC26532782

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 35 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) 3.00 8.7 -54.08 0 9 -1 119 482.488 8
Mid Mid (pH 6-8) 3.00 11.03 -74 1 9 0 120 483.496 8
Lo Low (pH 4.5-6) 3.00 10.2 -59.85 2 9 1 117 484.504 8

Activity (Go SEA)

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