UCSF

ZINC22938142

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 36 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) 4.82 10.93 -46.58 2 6 1 63 480.636 8
Hi High (pH 8-9.5) 4.82 8.65 -14.29 1 6 0 61 479.628 8
Mid Mid (pH 6-8) 4.82 10.93 -51.78 2 6 1 63 480.636 8

Activity (Go SEA)

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