UCSF

ZINC45687878

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 3.70 7.99 -93.11 3 3 2 24 273.509 12
Hi High (pH 8-9.5) 3.70 5.51 -32.73 2 3 1 23 272.501 12
Lo Low (pH 4.5-6) 3.70 9.49 -197.82 4 3 3 25 274.517 12

Activity (Go SEA)

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