UCSF

ZINC16805648

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 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) 3.40 11.38 -61.45 1 8 0 93 494.588 12
Mid Mid (pH 6-8) 3.85 10.96 -51.94 2 8 1 90 495.596 11
Mid Mid (pH 6-8) 2.82 11.15 -53.37 1 8 1 87 495.596 12

Activity (Go SEA)

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