UCSF

ZINC03669126

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 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) 5.53 10.31 -9.78 0 4 0 38 381.907 3
Mid Mid (pH 6-8) 5.53 12.13 -43.65 1 4 1 39 382.915 3
Mid Mid (pH 6-8) 5.53 12.61 -41.75 1 4 1 39 382.915 3

Activity (Go SEA)

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