UCSF

ZINC37081954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 0.69 2.65 -25.89 3 3 1 34 214.377 4
Hi High (pH 8-9.5) 0.69 2.86 -34.64 3 3 1 34 214.377 4
Mid Mid (pH 6-8) 0.69 4.31 -90.02 4 3 2 35 215.385 4
Mid Mid (pH 6-8) 0.69 2.63 -106.44 4 3 2 35 215.385 4

Activity (Go SEA)

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