UCSF

ZINC06601909

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2006 19 Yes

Other Names:

MFCD05136552

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) 3.64 5.11 -40.01 0 3 -1 48 302.709 3
Mid Mid (pH 6-8) 3.64 5.04 -7.47 1 3 0 46 303.717 3

Activity (Go SEA)

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