UCSF

ZINC55414513

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 26 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) 2.86 7.84 -12.08 0 4 0 33 360.404 4
Mid Mid (pH 6-8) 2.86 10.05 -51.29 1 4 1 34 361.412 4

Activity (Go SEA)

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