UCSF

ZINC27740084

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 21 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) 1.87 5.36 -19.45 1 6 0 81 323.399 6
Mid Mid (pH 6-8) 1.94 4.47 -46.22 0 6 -1 88 322.391 6

Activity (Go SEA)

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