UCSF

ZINC37213877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 20 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) 2.99 9.31 -78.52 3 3 2 21 281.488 6
Hi High (pH 8-9.5) 2.99 7.07 -31.65 2 3 1 20 280.48 6

Activity (Go SEA)

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