UCSF

ZINC37527302

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 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) 0.84 6.74 -75.16 1 6 0 74 250.302 3
Mid Mid (pH 6-8) 0.84 4.58 -51.52 0 6 -1 72 249.294 3
Lo Low (pH 4.5-6) 0.84 6.84 -93.59 2 6 1 75 251.31 3

Activity (Go SEA)

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