UCSF

ZINC35768997

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 35 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) 5.81 15.93 -12.5 0 5 0 49 483.015 5
Lo Low (pH 4.5-6) 5.81 16.25 -39.71 1 5 1 51 484.023 5

Activity (Go SEA)

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