UCSF

ZINC44240621

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 No

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) 1.62 4.01 -50.12 3 5 1 79 266.346 3
Hi High (pH 8-9.5) 1.62 2.65 -6.34 2 5 0 74 265.338 3

Activity (Go SEA)

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