UCSF

ZINC44609323

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 20 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 7.54 -59.04 0 5 -1 73 297.4 6
Lo Low (pH 4.5-6) 1.20 5.1 -7.2 1 5 0 71 298.408 6

Activity (Go SEA)

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