UCSF

ZINC36747675

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) 1.18 3.82 -12.4 2 4 0 61 237.69 4
Lo Low (pH 4.5-6) 1.18 4.26 -33.41 3 4 1 62 238.698 4

Activity (Go SEA)

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