UCSF

ZINC70613950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 16 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) 3.14 8.88 -37.35 1 2 1 22 226.384 4
Hi High (pH 8-9.5) 3.14 7.02 -5 0 2 0 20 225.376 4

Activity (Go SEA)

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