UCSF

ZINC05732401

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 27 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 5.81 5.04 -12.58 1 7 0 88 362.389 6
Hi High (pH 8-9.5) 5.81 5.81 -46.3 0 7 -1 91 361.381 6

Activity (Go SEA)

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