UCSF

ZINC33754089

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 23 Yes

CAS Number: [5940-00-1]

Other Names:

MFCD16621011

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) 3.18 2.21 -5.61 3 3 0 61 322.489 2

Activity (Go SEA)

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