UCSF

ZINC37267551

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 19 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) 2.41 5.73 -84.35 4 4 2 50 267.417 2
Hi High (pH 8-9.5) 2.41 4.47 -39.62 3 4 1 46 266.409 2

Activity (Go SEA)

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