UCSF

ZINC34493983

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 21 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) 2.06 5.82 -71.13 1 6 0 82 355.243 6
Hi High (pH 8-9.5) 2.06 3.42 -46.28 0 6 -1 81 354.235 6

Activity (Go SEA)

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