UCSF

ZINC20228126

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) 1.89 7.29 -20.32 1 7 0 59 430.574 11
Lo Low (pH 4.5-6) 1.89 10.06 -108.82 3 7 2 62 432.59 11

Activity (Go SEA)

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