UCSF

ZINC15937372

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 37 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) 3.35 12.32 -16.5 3 10 0 139 506.559 14
Hi High (pH 8-9.5) 3.35 12.17 -42.86 2 10 -1 138 505.551 14

Activity (Go SEA)

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