UCSF

ZINC34881105

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 29 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) 4.61 8.79 -18.18 2 7 0 93 430.917 6
Hi High (pH 8-9.5) 4.80 6.96 -46.86 1 7 -1 100 429.909 6

Activity (Go SEA)

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