UCSF

ZINC36792724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 2.19 6.82 -44.79 2 3 1 37 289.321 5
Hi High (pH 8-9.5) 2.19 5.89 -9.55 1 3 0 32 288.313 5

Activity (Go SEA)

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