UCSF

ZINC39899251

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 38 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.19 10.88 -13.18 2 7 0 91 522.992 7
Hi High (pH 8-9.5) 5.19 11.75 -44.28 1 7 -1 94 521.984 7

Activity (Go SEA)

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