UCSF

ZINC44406056

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 36 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) 8.89 19.11 -174.52 4 5 3 42 511.904 14
Mid Mid (pH 6-8) 8.89 17.92 -95.58 3 5 2 41 510.896 14
Mid Mid (pH 6-8) 8.89 16.68 -117.25 3 5 2 41 510.896 14

Activity (Go SEA)

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