UCSF

ZINC34874587

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 28 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) 3.30 9.42 -48.62 3 7 1 81 398.512 8
Hi High (pH 8-9.5) 3.30 6.95 -12.16 2 7 0 79 397.504 8

Activity (Go SEA)

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