UCSF

ZINC43909470

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 3.95 9.45 -33.19 2 2 1 16 263.449 8
Mid Mid (pH 6-8) 3.95 10.6 -116.18 3 2 2 21 264.457 8

Activity (Go SEA)

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