UCSF

ZINC59516533

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 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) 3.82 11.18 -24.52 2 8 0 98 461.909 8
Mid Mid (pH 6-8) 3.82 11.33 -45.76 3 8 1 99 462.917 8
Mid Mid (pH 6-8) 3.82 11.4 -39.43 3 8 1 99 462.917 8

Activity (Go SEA)

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