UCSF

ZINC41708611

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 20 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) 2.68 10.4 -53.09 1 3 1 26 275.416 3
Hi High (pH 8-9.5) 2.68 8.21 -9.89 0 3 0 25 274.408 3

Activity (Go SEA)

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