UCSF

ZINC12577987

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 27 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) 2.90 8.06 -20.76 1 7 0 78 384.461 6
Mid Mid (pH 6-8) 2.90 8.36 -40.38 2 7 1 80 385.469 6

Activity (Go SEA)

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