UCSF

ZINC33771521

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 1.94 7.09 -52.72 0 8 -1 95 462.526 10
Mid Mid (pH 6-8) 1.94 9.49 -70.78 1 8 0 96 463.534 10
Lo Low (pH 4.5-6) 1.94 8.2 -57.25 2 8 1 93 464.542 10

Activity (Go SEA)

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