UCSF

ZINC37079472

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 0.64 4.35 -101.82 4 2 2 32 158.289 5
Hi High (pH 8-9.5) 0.64 2.36 -42.08 3 2 1 31 157.281 5
Hi High (pH 8-9.5) 0.64 3.98 -29.13 3 2 1 30 157.281 5

Activity (Go SEA)

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