UCSF

ZINC25516702

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 22 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) 2.53 7.3 -13.35 1 5 0 68 330.438 3
Hi High (pH 8-9.5) 2.60 6.21 -43.34 0 5 -1 74 329.43 3

Activity (Go SEA)

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