UCSF

ZINC55371500

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2010 28 No

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) 1.25 6.43 -18.02 0 7 0 64 383.448 6
Mid Mid (pH 6-8) 1.25 6.81 -44.48 1 7 1 65 384.456 6

Activity (Go SEA)

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