UCSF

ZINC37077859

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 2.52 1.75 -11.22 3 6 0 94 292.364 5
Hi High (pH 8-9.5) 2.98 1.78 -49.38 2 6 -1 97 291.356 5
Mid Mid (pH 6-8) 2.52 2.84 -19.06 3 6 0 94 292.364 5

Activity (Go SEA)

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