UCSF

ZINC33375308

Substance Information

In ZINC since Heavy atoms Benign functionality
July 8th, 2009 38 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) 5.73 14.62 -49.94 1 7 0 83 520.67 15
Hi High (pH 8-9.5) 5.73 12.4 -40.24 0 7 -1 82 519.662 15
Lo Low (pH 4.5-6) 5.73 13.49 -52.04 2 7 1 81 521.678 15

Activity (Go SEA)

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