UCSF

ZINC33590467

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 29 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) 4.20 11.18 -29.97 1 6 0 75 491.798 4
Hi High (pH 8-9.5) 4.38 10.11 -61.85 0 6 -1 82 490.79 4

Activity (Go SEA)

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