UCSF

ZINC31973071

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 Yes

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) 1.64 6.78 -49.04 0 4 -1 57 203.221 3
Mid Mid (pH 6-8) 1.64 7.23 -52.72 1 4 0 59 204.229 3

Activity (Go SEA)

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