UCSF

ZINC45701729

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 3.97 11.35 -96.16 3 3 2 24 313.917 10
Hi High (pH 8-9.5) 3.97 8.9 -32.27 2 3 1 23 312.909 10

Activity (Go SEA)

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