UCSF

ZINC33582803

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 36 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) 2.70 10.58 -57.81 0 8 -1 101 483.5 8
Lo Low (pH 4.5-6) 2.70 9.28 -22.93 1 8 0 98 484.508 8
Lo Low (pH 4.5-6) 2.70 9.72 -61.18 2 8 1 99 485.516 8

Activity (Go SEA)

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