UCSF

ZINC21791854

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 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) 5.18 7 -4.74 2 2 0 32 255.361 4
Hi High (pH 8-9.5) 5.18 7.74 -44.84 1 2 -1 35 254.353 4

Activity (Go SEA)

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