UCSF

ZINC29042120

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 31 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) 6.41 5.11 -23.74 4 6 0 111 422.477 5
Hi High (pH 8-9.5) 6.41 6.12 -72.92 3 6 -1 114 421.469 5

Activity (Go SEA)

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