UCSF

ZINC36720358

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 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) 1.01 3.19 -5.34 3 3 0 51 199.257 3
Lo Low (pH 4.5-6) 1.01 3.66 -35.5 4 3 1 52 200.265 3

Activity (Go SEA)

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