UCSF

ZINC31968359

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 4.28 9.55 -18.32 1 3 0 42 330.359 3
Hi High (pH 8-9.5) 4.35 8.63 -45.09 0 3 -1 48 329.351 3

Activity (Go SEA)

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