UCSF

ZINC58314085

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 29 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) 3.73 9.87 -10.56 1 6 0 65 393.487 8
Mid Mid (pH 6-8) 3.73 10.44 -34.7 2 6 1 67 394.495 8

Activity (Go SEA)

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