UCSF

ZINC44830832

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 29 No

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) 5.13 13.71 -7.72 0 3 0 39 391.555 3
Mid Mid (pH 6-8) 5.13 14.17 -37.33 1 3 1 40 392.563 3

Activity (Go SEA)

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