UCSF

ZINC36135746

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 17 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) 3.58 5.16 -50.28 4 3 1 57 241.399 6
Mid Mid (pH 6-8) 3.58 4.89 -5.15 3 3 0 55 240.391 6

Activity (Go SEA)

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