UCSF

ZINC45619728

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) 1.03 2.78 -33.81 2 3 1 28 215.361 5
Lo Low (pH 4.5-6) 1.03 5.4 -96.41 3 3 2 29 216.369 5
Lo Low (pH 4.5-6) 1.03 3.15 -33.45 2 3 1 28 215.361 5

Activity (Go SEA)

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