UCSF

ZINC36170468

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 1.31 5.98 -39.42 3 4 1 51 262.377 2
Mid Mid (pH 6-8) 1.31 3.84 -7.84 2 4 0 50 261.369 2

Activity (Go SEA)

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