UCSF

ZINC13687295

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 29 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) 2.04 3.67 -48.75 0 8 -1 103 395.391 6
Ref Reference (pH 7) 2.04 3.51 -49.46 0 8 -1 103 395.391 6
Mid Mid (pH 6-8) 1.59 6.18 -10.63 1 8 0 100 396.399 6

Activity (Go SEA)

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