UCSF

ZINC32014165

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 Yes

Other Names:

MFCD11937574

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) 0.40 4.16 -47.8 3 3 1 48 223.271 4
Mid Mid (pH 6-8) 0.40 3.78 -9.57 2 3 0 46 222.263 4

Activity (Go SEA)

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