UCSF

ZINC34984528

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 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) 4.40 12.69 -14.81 1 6 0 62 494.639 7
Lo Low (pH 4.5-6) 4.40 15.13 -56.09 2 6 1 63 495.647 7

Activity (Go SEA)

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