UCSF

ZINC13281312

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 28 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) 3.20 11.58 -10.79 0 9 0 91 391.472 8
Mid Mid (pH 6-8) 3.20 12.07 -36.13 1 9 1 93 392.48 8

Activity (Go SEA)

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