UCSF

ZINC09242432

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 4.19 13.17 -62.86 0 6 -1 83 475.524 8
Mid Mid (pH 6-8) 4.64 11.88 -17.57 1 6 0 80 476.532 7
Lo Low (pH 4.5-6) 4.64 12.16 -42.98 2 6 1 81 477.54 7

Activity (Go SEA)

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