UCSF

ZINC33733190

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 35 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) 4.85 12.72 -56.45 1 7 -1 102 510.954 6
Mid Mid (pH 6-8) 4.85 13.26 -56.26 1 7 -1 102 510.954 6

Activity (Go SEA)

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