UCSF

ZINC15883344

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 37 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) 5.42 15.93 -13.69 1 5 0 64 491.566 8
Lo Low (pH 4.5-6) 5.42 16.09 -55.04 2 5 1 65 492.574 8

Activity (Go SEA)

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