UCSF

ZINC13535431

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 37 No

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) 4.66 10.67 -60.43 0 7 -1 82 505.635 9
Mid Mid (pH 6-8) 5.11 12.28 -51.63 2 7 1 81 507.651 8
Mid Mid (pH 6-8) 4.66 13 -78.19 1 7 0 83 506.643 9

Activity (Go SEA)

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