UCSF

ZINC21812402

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 1.85 4.19 -71.26 3 4 0 76 345.251 4
Mid Mid (pH 6-8) 1.85 4.12 -58.71 4 4 1 74 346.259 4

Activity (Go SEA)

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