UCSF

ZINC45626666

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 12 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) -1.66 -3.4 -44.2 4 5 1 83 173.192 3
Mid Mid (pH 6-8) -1.47 -6.01 -41.15 3 5 0 89 172.184 3
Mid Mid (pH 6-8) -1.47 -5.96 -38.74 3 5 0 89 172.184 3

Activity (Go SEA)

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