UCSF

ZINC20309383

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 36 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) 2.46 6.25 -63.55 1 11 -1 148 496.496 9
Hi High (pH 8-9.5) 2.46 7.28 -127.3 0 11 -2 151 495.488 9
Mid Mid (pH 6-8) 2.46 8.58 -87.87 2 11 0 149 497.504 9

Activity (Go SEA)

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