UCSF

ZINC32048164

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) 0.16 1.69 -113.29 5 5 2 65 267.373 4
Mid Mid (pH 6-8) 0.16 -0.78 -43.32 4 5 1 64 266.365 4

Activity (Go SEA)

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