UCSF

ZINC38282871

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 33 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) 3.43 12.07 -66.58 1 7 0 82 446.551 8
Lo Low (pH 4.5-6) 3.43 11.3 -45.8 2 7 1 79 447.559 8

Activity (Go SEA)

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