UCSF

ZINC36771532

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 2.43 8.2 -39.01 2 3 1 33 270.4 6
Lo Low (pH 4.5-6) 2.43 8.67 -78.34 3 3 2 34 271.408 6

Activity (Go SEA)

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