UCSF

ZINC53445924

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 2.89 6.32 -37.47 2 3 1 33 251.394 9
Hi High (pH 8-9.5) 2.89 5.14 -3.07 1 3 0 28 250.386 9
Mid Mid (pH 6-8) 2.89 8.73 -113.21 3 3 2 34 252.402 9

Activity (Go SEA)

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