UCSF

ZINC32007013

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 Yes

CAS Number: N/A

Other Names:

MFCD07390350

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) 1.30 3.28 -34.42 3 2 1 37 178.255 2
Hi High (pH 8-9.5) 1.30 2.31 -4.51 2 2 0 32 177.247 2

Activity (Go SEA)

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