UCSF

ZINC32090445

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 16 Yes

Other Names:

MFCD11919838

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) 1.19 4.69 -46.24 3 3 1 48 241.742 4
Mid Mid (pH 6-8) 1.19 4.31 -10.21 2 3 0 46 240.734 4

Activity (Go SEA)

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