UCSF

ZINC39856740

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 6.04 13.69 -19.22 1 4 0 51 402.519 6
Hi High (pH 8-9.5) 6.22 11.33 -49.64 0 4 -1 58 401.511 6

Activity (Go SEA)

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