UCSF

ZINC24529372

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2009 33 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) 2.30 7.12 -74.33 2 8 0 102 494.976 7
Hi High (pH 8-9.5) 2.30 4.91 -48.7 1 8 -1 101 493.968 7
Mid Mid (pH 6-8) 2.30 4.69 -21.11 2 8 0 99 494.976 7

Activity (Go SEA)

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