UCSF

ZINC45629409

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 3.00 8.5 -47.29 1 4 -1 69 292.399 6
Lo Low (pH 4.5-6) 3.00 6.52 -5.22 2 4 0 66 293.407 6

Activity (Go SEA)

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