UCSF

ZINC36613980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 26 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) 2.64 5.46 -14.75 1 6 0 81 348.337 3
Hi High (pH 8-9.5) 2.70 3.52 -35.13 0 6 -1 87 347.329 3
Lo Low (pH 4.5-6) 2.64 5.92 -51.83 2 6 1 82 349.345 3

Activity (Go SEA)

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