UCSF

ZINC37799525

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) -0.08 1.4 -43.12 3 5 1 60 270.397 4
Hi High (pH 8-9.5) -0.08 1.3 -6.89 2 5 0 59 269.389 4
Mid Mid (pH 6-8) -0.08 3.73 -97.08 4 5 2 62 271.405 4

Activity (Go SEA)

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