UCSF

ZINC37823718

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.56 1.3 -102.2 6 6 2 95 270.377 3
Hi High (pH 8-9.5) -0.56 -0.64 -10.12 4 6 0 93 268.361 3
Mid Mid (pH 6-8) -0.56 1.05 -40.78 5 6 1 94 269.369 3

Activity (Go SEA)

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