UCSF

ZINC34573092

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 No

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) 3.06 7.74 -31.86 1 3 1 33 214.329 7
Mid Mid (pH 6-8) 3.06 4.55 -3.61 0 3 0 29 213.321 7

Activity (Go SEA)

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