UCSF

ZINC44418566

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 34 No

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) 8.72 17.26 -33.8 0 4 -1 57 489.721 17
Mid Mid (pH 6-8) 9.03 17.95 -6.21 1 4 0 51 490.729 18
Lo Low (pH 4.5-6) 9.03 18.8 -34.59 2 4 1 52 491.737 18

Activity (Go SEA)

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