UCSF

ZINC20753980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 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) 2.68 8.46 -41.95 2 7 0 99 445.585 4
Hi High (pH 8-9.5) 3.98 8.04 -51.08 1 7 -1 102 444.577 4

Activity (Go SEA)

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