UCSF

ZINC53160014

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 Yes

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) 3.10 7.31 -51.05 2 5 -1 81 311.789 9
Lo Low (pH 4.5-6) 3.10 5.33 -13.4 3 5 0 78 312.797 9

Activity (Go SEA)

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