UCSF

ZINC08467977

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2006 29 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) 3.91 12.4 -74.84 1 5 0 65 412.917 6
Hi High (pH 8-9.5) 3.91 9.88 -57.51 0 5 -1 64 411.909 6
Mid Mid (pH 6-8) 3.33 1.63 -47.9 1 5 1 58 413.925 6

Activity (Go SEA)

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