UCSF

ZINC37811482

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.82 6.48 -95.44 4 4 2 52 283.441 4
Mid Mid (pH 6-8) 1.82 4.59 -39.7 3 4 1 51 282.433 4

Activity (Go SEA)

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