UCSF

ZINC05154596

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 21 Yes

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) 2.23 4.79 -39.87 0 6 -1 74 289.29 3
Mid Mid (pH 6-8) 2.23 -3.43 -15.43 1 6 0 71 290.298 3

Activity (Go SEA)

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