UCSF

ZINC09129900

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 34 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) 4.55 3.9 -15.69 0 7 0 85 447.498 6
Mid Mid (pH 6-8) 4.55 4.26 -59.59 1 7 1 86 448.506 6

Activity (Go SEA)

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