UCSF

ZINC22917935

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 36 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) 2.20 11.1 -55.1 1 8 1 64 490.628 8
Hi High (pH 8-9.5) 2.20 8.56 -15.18 0 8 0 63 489.62 8

Activity (Go SEA)

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