UCSF

ZINC60007370

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 32 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) 5.35 13.14 -43.18 2 5 1 52 433.572 10
Hi High (pH 8-9.5) 5.35 10.99 -12.8 1 5 0 51 432.564 10

Activity (Go SEA)

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