UCSF

ZINC45655716

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 15 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) 1.61 4.69 -29.74 2 3 1 26 215.361 6
Hi High (pH 8-9.5) 1.61 2.3 -1.66 1 3 0 24 214.353 6
Lo Low (pH 4.5-6) 1.61 3.36 -32.57 2 3 1 29 215.361 6

Activity (Go SEA)

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