UCSF

ZINC19898802

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 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) 3.76 11.04 -70.72 1 5 0 65 419.308 6
Hi High (pH 8-9.5) 3.76 8.51 -51.54 0 5 -1 64 418.3 6
Lo Low (pH 4.5-6) 3.76 10.22 -54.82 2 5 1 62 420.316 6

Activity (Go SEA)

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