UCSF

ZINC31565963

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 26 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) 4.11 11.95 -48.12 2 3 1 34 345.466 4
Hi High (pH 8-9.5) 4.11 9.74 -11.46 1 3 0 32 344.458 4

Activity (Go SEA)

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