UCSF

ZINC37229607

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 2.15 6.7 -106.24 3 3 2 24 295.393 7
Hi High (pH 8-9.5) 2.15 5.51 -34.35 2 3 1 20 294.385 7
Mid Mid (pH 6-8) 2.15 4.24 -41.38 2 3 1 23 294.385 7

Activity (Go SEA)

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