UCSF

ZINC36629469

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 3.78 11.47 -43.93 2 5 1 60 387.525 7
Mid Mid (pH 6-8) 3.78 9.2 -10.81 1 5 0 59 386.517 7

Activity (Go SEA)

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