UCSF

ZINC31933542

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 0.36 3.01 -42.97 3 5 1 63 242.343 5
Mid Mid (pH 6-8) 0.36 0.82 -11.88 2 5 0 61 241.335 5

Activity (Go SEA)

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