UCSF

ZINC12857648

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 27 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) 4.22 10.12 -12.57 1 4 0 49 375.497 5
Mid Mid (pH 6-8) 4.22 12.41 -55.36 2 4 1 50 376.505 5

Activity (Go SEA)

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