UCSF

ZINC39675547

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 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) 1.88 9.84 -106.66 4 6 2 70 454.59 6
Hi High (pH 8-9.5) 1.88 7.13 -53.44 3 6 1 69 453.582 6

Activity (Go SEA)

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