UCSF

ZINC45622611

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 0.99 5.37 -43.09 3 4 1 51 313.219 2
Mid Mid (pH 6-8) 0.99 3.16 -9.31 2 4 0 50 312.211 2

Activity (Go SEA)

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