UCSF

ZINC01512467

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 23 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) 4.04 7.26 -45.8 0 4 -1 61 347.416 4
Mid Mid (pH 6-8) 4.97 7.49 -15.1 1 4 0 62 348.424 3

Activity (Go SEA)

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