UCSF

ZINC19471231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 Yes

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) 0.95 3.61 -62.53 4 4 1 70 256.329 5
Hi High (pH 8-9.5) 0.95 3.22 -14.57 3 4 0 68 255.321 5
Lo Low (pH 4.5-6) 0.95 3.98 -97.07 5 4 2 71 257.337 5

Activity (Go SEA)

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