UCSF

ZINC22935953

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 20 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) 3.45 8.91 -39.1 2 2 1 20 269.412 5
Mid Mid (pH 6-8) 3.45 9.4 -30.91 2 2 1 16 269.412 5
Lo Low (pH 4.5-6) 3.45 10.7 -120.22 3 2 2 21 270.42 5

Activity (Go SEA)

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