UCSF

ZINC34695297

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 32 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) 2.60 10.7 -23.41 1 6 0 72 429.52 6
Lo Low (pH 4.5-6) 2.60 11.1 -53.97 2 6 1 73 430.528 6

Activity (Go SEA)

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