UCSF

ZINC02184923

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 32 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) 5.94 10.65 -12.2 1 6 0 73 446.528 7
Ref Reference (pH 7) 5.94 10.23 -11.89 1 6 0 73 446.528 7
Mid Mid (pH 6-8) 5.45 10.2 -44.27 0 6 -1 72 445.52 8
Lo Low (pH 4.5-6) 5.45 10.61 -18.29 1 6 0 70 446.528 8

Activity (Go SEA)

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