UCSF

ZINC54243702

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2010 17 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) 1.35 8.58 -168.88 4 3 3 25 242.431 4
Mid Mid (pH 6-8) 1.35 7.33 -73.99 3 3 2 21 241.423 4
Mid Mid (pH 6-8) 1.35 6.19 -97.71 3 3 2 24 241.423 4

Activity (Go SEA)

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