UCSF

ZINC04368712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 30 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) 4.30 13.23 -15.74 2 7 0 81 403.486 7
Mid Mid (pH 6-8) 4.47 13.91 -54.91 3 7 1 86 404.494 7

Activity (Go SEA)

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