UCSF

ZINC37093001

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 16 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) 1.35 4.99 -44.63 3 4 1 49 223.344 3
Hi High (pH 8-9.5) 1.35 4.77 -23.5 3 4 1 48 223.344 3
Hi High (pH 8-9.5) 1.35 4.64 -4.71 2 4 0 47 222.336 3
Mid Mid (pH 6-8) 1.35 5.13 -98.36 4 4 2 50 224.352 3

Activity (Go SEA)

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