UCSF

ZINC36754325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) -0.30 1.9 -45.11 3 4 1 57 201.29 5
Lo Low (pH 4.5-6) -0.30 4.14 -108.74 4 4 2 58 202.298 5

Activity (Go SEA)

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