UCSF

ZINC36989913

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 3.08 7.85 -10.29 1 3 0 49 259.312 3
Lo Low (pH 4.5-6) 3.08 8.28 -36.71 2 3 1 50 260.32 3

Activity (Go SEA)

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