UCSF

ZINC20189597

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.13 10.48 -78.64 1 7 0 83 503.393 9
Lo Low (pH 4.5-6) 3.13 9.66 -58.35 2 7 1 81 504.401 9

Activity (Go SEA)

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