UCSF

ZINC16149049

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 21 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) 3.38 6.34 -15.16 1 4 0 63 303.383 4
Hi High (pH 8-9.5) 3.38 6.39 -49.38 0 4 -1 65 302.375 4

Activity (Go SEA)

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