UCSF

ZINC37115730

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 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) -0.86 1.43 -63.73 3 5 0 86 174.2 6
Hi High (pH 8-9.5) -0.86 0.08 -51.9 2 5 -1 81 173.192 6

Activity (Go SEA)

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