UCSF

ZINC20230241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 30 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) 4.78 10.37 -16.76 0 6 0 64 405.498 6
Ref Reference (pH 7) 4.78 10.82 -14.26 0 6 0 64 405.498 6
Mid Mid (pH 6-8) 4.78 13.13 -51.95 1 6 1 65 406.506 6
Lo Low (pH 4.5-6) 4.78 12.66 -54.54 1 6 1 65 406.506 6

Activity (Go SEA)

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