UCSF

ZINC44825465

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 15 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) 1.20 3.98 -8.28 1 5 0 79 212.249 6
Hi High (pH 8-9.5) 1.39 2.01 -41.35 0 5 -1 86 211.241 6

Activity (Go SEA)

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