UCSF

ZINC31904988

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 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) 4.99 13.54 -53.28 2 7 1 70 465.618 14
Hi High (pH 8-9.5) 4.99 11.44 -12.58 1 7 0 69 464.61 14
Mid Mid (pH 6-8) 4.99 13.9 -102.97 3 7 2 71 466.626 14

Activity (Go SEA)

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