UCSF

ZINC34680611

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 31 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) 3.86 11.26 -15.69 1 6 0 66 479.378 4
Mid Mid (pH 6-8) 3.86 11.6 -45.55 2 6 1 67 480.386 4

Activity (Go SEA)

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