UCSF

ZINC35622686

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 31 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) 2.69 4.51 -39.36 1 8 -1 115 436.469 3
Lo Low (pH 4.5-6) 3.15 2.15 -108.88 0 8 -2 118 435.461 3

Activity (Go SEA)

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