UCSF

ZINC41510772

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 Yes

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) 4.20 11.12 -42.9 2 7 1 94 422.457 6
Hi High (pH 8-9.5) 4.20 11.8 -32.65 1 7 0 97 421.449 6

Activity (Go SEA)

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