UCSF

ZINC62953035

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 2.11 5.2 -32.56 2 3 1 26 241.399 3
Hi High (pH 8-9.5) 2.11 3.43 -0.81 1 3 0 24 240.391 3
Lo Low (pH 4.5-6) 2.11 6.16 -113.17 3 3 2 30 242.407 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.