UCSF

ZINC05562082

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 31 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) 3.98 11.35 -20.11 2 8 0 90 421.501 7
Hi High (pH 8-9.5) 4.16 11.86 -19.78 2 8 0 93 421.501 7

Activity (Go SEA)

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