UCSF

ZINC33812802

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 37 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) 4.00 9.32 -59.73 0 8 -1 95 503.575 10
Mid Mid (pH 6-8) 4.00 11.73 -73.78 1 8 0 96 504.583 10
Lo Low (pH 4.5-6) 4.00 10.91 -50.2 2 8 1 94 505.591 10

Activity (Go SEA)

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