UCSF

ZINC42453630

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.93 5.34 -48.83 3 3 1 44 208.329 5
Hi High (pH 8-9.5) 1.93 4.94 -4.6 2 3 0 42 207.321 5
Hi High (pH 8-9.5) 1.93 5.31 -26.3 3 3 1 43 208.329 5

Activity (Go SEA)

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