UCSF

ZINC34471528

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 39 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) 4.02 15.69 -50.72 3 9 1 100 523.665 8
Hi High (pH 8-9.5) 4.02 13.48 -15.15 2 9 0 99 522.657 8

Activity (Go SEA)

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