UCSF

ZINC61820396

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 1.47 6.51 -41.11 3 2 1 31 233.379 2
Hi High (pH 8-9.5) 1.47 6.18 -2.58 2 2 0 29 232.371 2
Lo Low (pH 4.5-6) 1.47 7.2 -91.43 4 2 2 32 234.387 2

Activity (Go SEA)

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