UCSF

ZINC36680242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.43 6.4 -13.86 1 6 0 77 383.473 7
Hi High (pH 8-9.5) 4.50 4.26 -49.69 0 6 -1 84 382.465 7

Activity (Go SEA)

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