UCSF

ZINC43260153

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.16 4.57 -41.32 3 2 1 31 318.304 5
Hi High (pH 8-9.5) 3.16 6.2 -31.56 3 2 1 30 318.304 5
Hi High (pH 8-9.5) 3.16 4.3 -1.97 2 2 0 29 317.296 5
Lo Low (pH 4.5-6) 3.16 6.49 -108.56 4 2 2 32 319.312 5

Activity (Go SEA)

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