UCSF

ZINC37003675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.91 6.86 -27.76 3 4 1 50 306.817 6
Hi High (pH 8-9.5) 3.91 7.62 -35.16 2 4 0 52 305.809 6

Activity (Go SEA)

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