UCSF

ZINC62948425

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 14 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) 1.00 3.98 -43.23 2 3 1 33 192.286 1
Hi High (pH 8-9.5) 1.00 2.71 -4.89 1 3 0 28 191.278 1
Lo Low (pH 4.5-6) 1.00 4.4 -85.19 3 3 2 34 193.294 1

Activity (Go SEA)

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

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