UCSF

ZINC53119252

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.87 3.9 -30.58 3 3 1 46 244.399 8
Hi High (pH 8-9.5) 2.87 2.69 -3.12 2 3 0 41 243.391 8

Activity (Go SEA)

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