UCSF

ZINC22775839

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 32 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) 3.80 11.82 -46.29 1 5 1 41 429.588 5
Hi High (pH 8-9.5) 3.80 9.28 -10.45 0 5 0 40 428.58 5

Activity (Go SEA)

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