UCSF

ZINC37827012

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.44 2.72 -42.23 3 4 1 51 240.371 4
Hi High (pH 8-9.5) 0.44 2.4 -6.84 2 4 0 50 239.363 4
Mid Mid (pH 6-8) 0.44 4.91 -96.28 4 4 2 52 241.379 4

Activity (Go SEA)

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