UCSF

ZINC37533546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 18 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) 4.41 9.29 -49.78 2 1 1 17 309.202 4
Hi High (pH 8-9.5) 4.41 8.36 -4.29 1 1 0 12 308.194 4

Activity (Go SEA)

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