UCSF

ZINC43067033

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 30 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) 4.25 9.36 -11.2 2 5 0 62 404.489 9
Mid Mid (pH 6-8) 4.25 10.11 -33 3 5 1 64 405.497 9

Activity (Go SEA)

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