UCSF

ZINC37231483

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 4.80 10.26 -33.01 2 2 1 16 287.471 6
Mid Mid (pH 6-8) 4.80 9.19 -40.63 2 2 1 20 287.471 6
Lo Low (pH 4.5-6) 4.80 11.44 -108.69 3 2 2 21 288.479 6

Activity (Go SEA)

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