UCSF

ZINC49469340

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 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) 1.40 7.14 -47.7 0 8 -1 97 344.347 5
Mid Mid (pH 6-8) 1.40 7.49 -39.73 1 8 0 98 345.355 5

Activity (Go SEA)

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