UCSF

ZINC23127588

Substance Information

In ZINC since Heavy atoms Benign functionality
December 26th, 2008 21 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) 3.16 6.13 -43.5 2 4 1 51 329.511 5
Hi High (pH 8-9.5) 3.16 5.71 -50.29 1 4 0 53 328.503 5

Activity (Go SEA)

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