UCSF

ZINC36127643

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 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) 1.65 6.47 -56.2 3 3 1 48 273.331 4
Hi High (pH 8-9.5) 1.65 6.06 -10.76 2 3 0 46 272.323 4

Activity (Go SEA)

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