UCSF

ZINC15722003

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 33 Yes

CAS Number: 117961-25-8

Other Names:

MFCD00238262

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) -0.55 3.04 -57.28 6 9 -1 165 456.519 11
Mid Mid (pH 6-8) -0.55 2.68 -78.67 7 9 0 166 457.527 11

Activity (Go SEA)

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