UCSF

ZINC20615047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 25 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) 1.28 5.4 -59.19 0 7 -1 82 341.391 4
Mid Mid (pH 6-8) 1.28 7.72 -76.53 1 7 0 83 342.399 4

Activity (Go SEA)

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