UCSF

ZINC09361302

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 31 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) 4.44 9.65 -50.05 0 6 -1 79 463.337 8
Mid Mid (pH 6-8) 4.89 8.71 -9.34 1 6 0 76 464.345 7
Mid Mid (pH 6-8) 3.86 0.25 -9.43 0 6 0 72 464.345 8

Activity (Go SEA)

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