UCSF

ZINC17994471

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 34 No

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) 5.18 6.16 -131.18 1 7 -2 114 477.517 5
Hi High (pH 8-9.5) 4.64 8.18 -72.35 2 7 -1 107 478.525 5
Mid Mid (pH 6-8) 4.72 8.04 -53.02 2 7 -1 111 478.525 5

Activity (Go SEA)

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