UCSF

ZINC29925385

Substance Information

In ZINC since Heavy atoms Benign functionality
March 21st, 2009 23 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) 0.45 4.98 -18.57 0 7 0 61 335.433 2
Mid Mid (pH 6-8) 0.45 7.32 -59.04 1 7 1 62 336.441 2

Activity (Go SEA)

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