UCSF

ZINC04457857

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 20 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) 3.52 -0.29 -14.06 1 4 0 58 262.268 1
Mid Mid (pH 6-8) 3.98 6.19 -54.19 0 4 -1 62 261.26 1

Activity (Go SEA)

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