UCSF

ZINC00431878

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 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) 2.48 2.35 -7.38 0 3 0 27 216.284 4
Mid Mid (pH 6-8) -1.06 2.64 -34.04 1 3 1 28 217.292 4

Activity (Go SEA)

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