UCSF

ZINC19889077

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 18 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) 0.70 1.42 -35.53 2 4 1 31 256.414 4
Hi High (pH 8-9.5) 0.70 1.39 -34.67 2 4 1 31 256.414 4
Mid Mid (pH 6-8) 0.70 3.58 -79.01 3 4 2 32 257.422 4
Lo Low (pH 4.5-6) 0.70 3.66 -99.72 3 4 2 32 257.422 4

Activity (Go SEA)

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