UCSF

ZINC37834752

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 13 No

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) 0.56 5.4 -39.73 1 3 1 25 181.259 2
Mid Mid (pH 6-8) 0.56 3.21 -7.51 0 3 0 24 180.251 2

Activity (Go SEA)

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