UCSF

ZINC36876520

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 3.15 7.61 -35.75 3 3 1 45 256.373 3
Hi High (pH 8-9.5) 3.15 6.17 -6.74 2 3 0 41 255.365 3
Hi High (pH 8-9.5) 3.15 6.82 -25.43 3 3 1 42 256.373 3
Mid Mid (pH 6-8) 3.15 8.05 -104.97 4 3 2 47 257.381 3

Activity (Go SEA)

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