UCSF

ZINC08544742

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2006 26 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) 2.66 7.35 -17.19 1 8 0 106 390.494 5
Hi High (pH 8-9.5) 3.11 5.88 -39.28 0 8 -1 110 389.486 5

Activity (Go SEA)

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