UCSF

ZINC37273541

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 3.43 6.04 -3.07 1 3 0 24 308.853 6
Mid Mid (pH 6-8) 3.43 7.2 -38.84 2 3 1 29 309.861 6
Lo Low (pH 4.5-6) 3.43 8.48 -36.07 2 3 1 26 309.861 6
Lo Low (pH 4.5-6) 3.43 9.1 -121.32 3 3 2 30 310.869 6

Activity (Go SEA)

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