UCSF

ZINC43915559

Substance Information

In ZINC since Heavy atoms Benign functionality
May 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) 1.55 3.17 -34.68 2 4 1 38 251.35 5
Hi High (pH 8-9.5) 1.55 2.31 -4.43 1 4 0 34 250.342 5
Lo Low (pH 4.5-6) 1.55 5.19 -113.62 3 4 2 40 252.358 5

Activity (Go SEA)

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