UCSF

ZINC22012089

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 26 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) 4.45 9.04 -48.61 3 2 1 31 343.494 4
Mid Mid (pH 6-8) 4.45 10.62 -29.2 3 2 1 30 343.494 4
Mid Mid (pH 6-8) 4.45 10.93 -113.13 4 2 2 32 344.502 4

Activity (Go SEA)

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