UCSF

ZINC38734815

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.61 7.93 -117.93 3 6 2 91 421.522 4
Hi High (pH 8-9.5) 4.61 8.07 -46.29 2 6 1 93 420.514 4

Activity (Go SEA)

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