UCSF

ZINC43248276

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 2.21 2.01 -43.67 4 3 1 51 283.461 5
Hi High (pH 8-9.5) 2.21 1.73 -4.5 3 3 0 49 282.453 5
Mid Mid (pH 6-8) 2.21 4.17 -102.83 5 3 2 52 284.469 5

Activity (Go SEA)

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