UCSF

ZINC21533317

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 29 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) 1.20 7.67 -27.05 2 8 0 110 390.399 6
Hi High (pH 8-9.5) 2.10 6.62 -56.14 1 8 -1 113 389.391 6

Activity (Go SEA)

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