UCSF

ZINC23549000

Substance Information

In ZINC since Heavy atoms Benign functionality
January 3rd, 2009 30 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) 3.96 9.47 -8.47 1 5 0 53 427.976 6
Mid Mid (pH 6-8) 3.96 11.76 -53.31 2 5 1 54 428.984 6

Activity (Go SEA)

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