UCSF

ZINC02784281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 37 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) 6.52 12.31 -22.12 2 7 0 94 526.029 9
Mid Mid (pH 6-8) 6.52 13.1 -67.64 1 7 -1 97 525.021 9

Activity (Go SEA)

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