UCSF

ZINC28653791

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 22 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) 4.03 11.17 -40.35 1 3 1 31 308.486 6
Hi High (pH 8-9.5) 4.03 8.74 -3.5 0 3 0 30 307.478 6

Activity (Go SEA)

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