UCSF

ZINC16577805

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 25 No

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) 1.96 6.49 -28.43 3 5 0 96 373.503 4
Mid Mid (pH 6-8) 2.46 4.98 -15.32 2 5 0 96 373.503 4
Mid Mid (pH 6-8) 2.30 5.13 -15.28 2 5 0 96 373.503 4

Activity (Go SEA)

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