UCSF

ZINC32099661

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 16 Yes

Other Names:

MFCD09787885

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) 2.75 6.24 -47.8 0 3 -1 53 214.244 2
Mid Mid (pH 6-8) 2.75 6.55 -36.24 1 3 0 54 215.252 2

Activity (Go SEA)

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