UCSF

ZINC29688110

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2009 33 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) 2.12 8.35 -22 1 7 0 79 446.503 6
Hi High (pH 8-9.5) 2.12 9.14 -48.88 0 7 -1 82 445.495 6

Activity (Go SEA)

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