UCSF

ZINC02340982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 33 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) 3.16 2.14 -19.85 0 8 0 91 441.491 7
Mid Mid (pH 6-8) 3.16 2.42 -42.87 1 8 1 93 442.499 7

Activity (Go SEA)

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