UCSF

ZINC36785542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 1.30 6.7 -87.99 5 3 2 56 233.359 5
Hi High (pH 8-9.5) 1.30 6.87 -36.43 4 3 1 54 232.351 5

Activity (Go SEA)

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