UCSF

ZINC22888427

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 32 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) 3.53 9.58 -12.67 0 6 0 62 426.52 4
Mid Mid (pH 6-8) 3.53 11.46 -59.09 1 6 1 64 427.528 4

Activity (Go SEA)

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