UCSF

ZINC36775976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 0.21 4.34 -126.65 4 3 2 45 207.321 3
Hi High (pH 8-9.5) 0.21 1.95 -3.54 2 3 0 42 205.305 3
Hi High (pH 8-9.5) 0.21 1.82 -45.97 3 3 1 44 206.313 3
Mid Mid (pH 6-8) 0.21 4.23 -37.68 3 3 1 43 206.313 3

Activity (Go SEA)

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