UCSF

ZINC42742075

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 4.11 6.88 -113.61 4 2 2 32 244.467 8
Hi High (pH 8-9.5) 4.11 5.89 -25.57 3 2 1 30 243.459 8
Mid Mid (pH 6-8) 4.11 5.01 -41.59 3 2 1 31 243.459 8

Activity (Go SEA)

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