UCSF

ZINC65575407

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2011 17 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) 0.99 6.01 -33.95 1 4 1 34 241.355 5
Hi High (pH 8-9.5) 0.99 3.59 -4.91 0 4 0 33 240.347 5
Lo Low (pH 4.5-6) 0.99 8.23 -106.97 2 4 2 35 242.363 5

Activity (Go SEA)

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