UCSF

ZINC22797070

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) 2.18 9.36 -46.4 2 6 1 55 438.592 7
Hi High (pH 8-9.5) 2.18 7.18 -14.36 1 6 0 54 437.584 7

Activity (Go SEA)

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