UCSF

ZINC30819389

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2009 33 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) 4.70 12.55 -69.99 3 4 1 60 464.699 4
Mid Mid (pH 6-8) 4.70 13.17 -20.2 2 4 0 59 463.691 4

Activity (Go SEA)

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