UCSF

ZINC24761813

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.40 12.39 -51.29 3 5 1 64 393.486 7
Mid Mid (pH 6-8) 4.40 11.33 -11.78 2 5 0 59 392.478 7

Activity (Go SEA)

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