UCSF

ZINC40151813

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 25 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) 1.10 7.57 -23.28 1 7 0 86 362.455 4
Hi High (pH 8-9.5) 1.56 4.8 -72.35 0 7 -1 89 361.447 4

Activity (Go SEA)

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