UCSF

ZINC31255089

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 24 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) 2.46 3.43 -15.33 2 7 0 94 328.324 4
Hi High (pH 8-9.5) 2.92 0.8 -48.56 1 7 -1 97 327.316 4

Activity (Go SEA)

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