UCSF

ZINC58191366

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 20 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) 1.16 3.24 -9.83 1 5 0 53 344.184 4
Mid Mid (pH 6-8) 1.16 5.48 -34.04 2 5 1 54 345.192 4

Activity (Go SEA)

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