UCSF

ZINC37252668

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 2.80 8.49 -45.22 2 3 0 57 281.402 7
Hi High (pH 8-9.5) 2.80 7.37 -44.93 1 3 -1 52 280.394 7

Activity (Go SEA)

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