UCSF

ZINC42447376

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 3.63 8.56 -53.29 0 4 -1 56 267.736 3
Lo Low (pH 4.5-6) 3.63 8.88 -32.12 1 4 0 58 268.744 3

Activity (Go SEA)

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