UCSF

ZINC12733515

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 25 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) 2.25 9.84 -12.5 0 5 0 51 370.503 4
Mid Mid (pH 6-8) 2.25 10.3 -42.92 1 5 1 52 371.511 4

Activity (Go SEA)

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