UCSF

ZINC35482592

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 32 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) 3.90 12.52 -16.67 0 7 0 67 446.942 3
Lo Low (pH 4.5-6) 3.90 12.48 -51.49 1 7 1 68 447.95 3

Activity (Go SEA)

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