UCSF

ZINC09462720

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 36 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) 5.16 13.36 -58.63 0 6 -1 79 484.572 10
Mid Mid (pH 6-8) 4.57 12.46 -24.99 0 6 0 73 485.58 10
Mid Mid (pH 6-8) 5.60 11.48 -30.21 1 6 0 76 485.58 9

Activity (Go SEA)

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