UCSF

ZINC20760981

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 37 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) 3.27 11.89 -51.88 1 8 0 98 500.551 5
Hi High (pH 8-9.5) 3.27 9.65 -57.58 0 8 -1 97 499.543 5
Mid Mid (pH 6-8) 3.27 9.01 -20.05 1 8 0 94 500.551 5
Mid Mid (pH 6-8) 3.27 11.27 -65.04 2 8 1 95 501.559 5

Activity (Go SEA)

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