UCSF

ZINC37812682

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) -1.64 0.48 -92.22 5 6 2 81 242.323 3
Hi High (pH 8-9.5) -1.64 -2.15 -8.7 3 6 0 79 240.307 3
Mid Mid (pH 6-8) -1.64 -1.74 -46.78 4 6 1 80 241.315 3

Activity (Go SEA)

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