UCSF

ZINC44694041

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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) -0.24 3.81 -39.87 2 5 1 53 254.354 7
Hi High (pH 8-9.5) -0.24 2.4 -8.52 1 5 0 48 253.346 7
Lo Low (pH 4.5-6) -0.24 3.98 -97.24 3 5 2 54 255.362 7

Activity (Go SEA)

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