UCSF

ZINC12317989

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 28 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) 1.47 -2.76 -16.35 1 7 0 81 381.432 6
Lo Low (pH 4.5-6) 1.47 -2.63 -41.69 2 7 1 82 382.44 6

Activity (Go SEA)

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