UCSF

ZINC48358422

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 29 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) 3.97 8.97 -11.72 1 5 0 51 404.457 7
Lo Low (pH 4.5-6) 3.97 10.28 -46.51 2 5 1 52 405.465 7

Activity (Go SEA)

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