UCSF

ZINC15722462

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 32 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) 3.59 12.72 -73.1 1 6 0 74 434.536 10
Hi High (pH 8-9.5) 3.59 10.5 -59.64 0 6 -1 73 433.528 10
Mid Mid (pH 6-8) 3.59 11.64 -57.6 2 6 1 71 435.544 9
Mid Mid (pH 6-8) 3.01 12.59 -61.01 1 6 1 68 435.544 10

Activity (Go SEA)

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