UCSF

ZINC43247415

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 0.26 2.49 -54.62 3 4 1 51 268.406 3
Hi High (pH 8-9.5) 0.26 1.76 -9.35 2 4 0 50 267.398 3

Activity (Go SEA)

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