UCSF

ZINC31772034

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2009 17 Yes

Other Names:

MFCD12435694

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) 1.64 6.15 -59.63 0 5 -1 67 233.247 5
Mid Mid (pH 6-8) 1.64 6.59 -68.81 1 5 0 68 234.255 5

Activity (Go SEA)

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