UCSF

ZINC27025328

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 26 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) 2.99 9.67 -72.44 1 5 0 65 390.892 6
Hi High (pH 8-9.5) 2.99 7.14 -55.08 0 5 -1 64 389.884 6
Lo Low (pH 4.5-6) 2.99 8.85 -52.83 2 5 1 62 391.9 6

Activity (Go SEA)

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