UCSF

ZINC08440751

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 38 No

Other Names:

MFCD01445693

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) 7.54 17.24 -19.99 1 5 0 65 507.63 9
Mid Mid (pH 6-8) 7.66 -0.01 -9.21 0 5 0 64 507.63 9

Activity (Go SEA)

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