UCSF

ZINC36984159

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 16 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) 3.56 7.88 -43.27 2 1 1 17 256.753 4
Mid Mid (pH 6-8) 3.56 6.5 -4.67 1 1 0 12 255.745 4

Activity (Go SEA)

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