UCSF

ZINC45189133

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 32 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) 2.62 9.18 -17.82 1 6 0 72 438.499 11
Lo Low (pH 4.5-6) 2.62 8.52 -56.78 2 6 1 73 439.507 11

Activity (Go SEA)

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