UCSF

ZINC36787818

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.95 7.7 -50.4 3 3 1 44 258.389 4
Hi High (pH 8-9.5) 2.95 7.27 -5.8 2 3 0 42 257.381 4
Mid Mid (pH 6-8) 2.95 8.05 -99.31 4 3 2 45 259.397 4

Activity (Go SEA)

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