UCSF

ZINC70515979

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 3.04 7.45 -34.15 3 3 1 42 281.379 5
Hi High (pH 8-9.5) 3.04 6.51 -6.89 2 3 0 37 280.371 5

Activity (Go SEA)

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