UCSF

ZINC37025588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.33 -0.02 -49.81 6 5 1 100 254.285 5
Hi High (pH 8-9.5) 0.33 -0.35 -15.84 5 5 0 98 253.277 5

Activity (Go SEA)

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