UCSF

ZINC17246565

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2008 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) 3.81 9.61 -60.96 0 6 -1 79 422.501 10
Mid Mid (pH 6-8) 3.81 9.61 -11.58 1 6 0 76 423.509 10
Mid Mid (pH 6-8) 3.23 9.97 -12.28 0 6 0 73 423.509 10

Activity (Go SEA)

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