UCSF

ZINC20229379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 35 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) 3.88 8.74 -55.6 0 7 -1 82 495.983 10
Mid Mid (pH 6-8) 3.88 11.07 -69.2 1 7 0 83 496.991 10
Lo Low (pH 4.5-6) 3.88 10.24 -49.06 2 7 1 81 497.999 10

Activity (Go SEA)

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