UCSF

ZINC20784521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 23 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) 2.80 9.89 -35.74 1 3 1 21 310.465 6
Lo Low (pH 4.5-6) 2.80 10.24 -89.33 2 3 2 22 311.473 6

Activity (Go SEA)

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