UCSF

ZINC20739081

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 28 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) 0.95 3.86 -20.44 2 9 0 115 381.392 4
Ref Reference (pH 7) 0.76 6.64 -18 2 9 0 111 381.392 4

Activity (Go SEA)

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