UCSF

ZINC37077449

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 2.49 2.85 -4.52 2 4 0 57 210.277 4
Lo Low (pH 4.5-6) 2.49 3.1 -23.07 3 4 1 59 211.285 4

Activity (Go SEA)

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