UCSF

ZINC26495045

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 35 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) -5.40 5.94 -195.53 4 14 -3 235 495.465 18
Hi High (pH 8-9.5) -5.40 5.97 -193.2 4 14 -3 239 495.465 18
Lo Low (pH 4.5-6) -5.40 7.29 -132.6 5 14 -2 240 496.473 18
Lo Low (pH 4.5-6) -5.40 9.58 -180.52 4 14 -3 239 495.465 18

Activity (Go SEA)

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