UCSF

ZINC34943673

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 33 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) 4.95 11.75 -64.01 0 6 -1 79 450.555 11
Lo Low (pH 4.5-6) 4.95 10.85 -14.93 1 6 0 76 451.563 11

Activity (Go SEA)

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