UCSF

ZINC19796544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 27 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) 3.37 7.21 -14.53 2 6 0 80 379.441 3
Hi High (pH 8-9.5) 3.44 6.31 -45.47 1 6 -1 87 378.433 3

Activity (Go SEA)

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