UCSF

ZINC42903780

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 19 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) 2.51 6.99 -53.65 3 3 1 61 253.325 4
Hi High (pH 8-9.5) 2.51 6.32 -6.11 2 3 0 59 252.317 4

Activity (Go SEA)

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