UCSF

ZINC22992167

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 29 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) 3.14 10.04 -48.56 2 6 1 63 402.559 8
Hi High (pH 8-9.5) 3.14 7.69 -14.09 1 6 0 62 401.551 8

Activity (Go SEA)

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