UCSF

ZINC44687241

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) 0.83 3.87 -39.68 4 4 1 60 260.361 5
Hi High (pH 8-9.5) 0.83 1.49 -8.58 3 4 0 58 259.353 5
Lo Low (pH 4.5-6) 0.83 2.72 -51.44 4 4 1 63 260.361 5

Activity (Go SEA)

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