UCSF

ZINC00753680

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 26 Yes

Other Names:

MFCD01628287

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) 0.54 11.75 -53.41 1 6 1 56 362.425 5
Mid Mid (pH 6-8) 0.54 9.42 -15.68 0 6 0 55 361.417 5

Activity (Go SEA)

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