UCSF

ZINC06635399

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2006 30 Yes

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) 4.59 10.23 -63.47 1 6 -1 87 420.514 6
Mid Mid (pH 6-8) 4.66 9.17 -154.09 0 6 -2 93 419.506 6

Activity (Go SEA)

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