UCSF

ZINC37801544

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) -0.50 3.8 -102.08 5 6 2 81 294.399 8
Hi High (pH 8-9.5) -0.50 3.4 -49.29 4 6 1 80 293.391 8

Activity (Go SEA)

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