UCSF

ZINC08583686

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2007 32 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) 2.33 5.81 -14.98 4 9 0 122 435.484 7
Mid Mid (pH 6-8) 2.50 5.95 -43.92 3 9 -1 123 434.476 7

Activity (Go SEA)

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