UCSF

ZINC32118445

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 15 Yes

Other Names:

MFCD11928739

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) 2.00 6.1 -114.57 4 2 2 32 273.218 5
Mid Mid (pH 6-8) 2.00 3.92 -42.8 3 2 1 31 272.21 5

Activity (Go SEA)

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