UCSF

ZINC27197748

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 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) 2.55 8.79 -247.57 9 5 4 86 397.611 13
Hi High (pH 8-9.5) 2.55 5.73 -113.23 7 5 2 83 395.595 13
Mid Mid (pH 6-8) 2.55 6.12 -147.56 8 5 3 85 396.603 13

Activity (Go SEA)

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