UCSF

ZINC36873980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 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) 1.40 7.84 -34.06 4 3 1 56 278.379 4
Hi High (pH 8-9.5) 1.40 8.25 -7 3 3 0 55 277.371 4
Mid Mid (pH 6-8) 1.40 8.6 -52.61 4 3 1 56 278.379 4
Lo Low (pH 4.5-6) 1.40 8.09 -123.29 5 3 2 58 279.387 4

Activity (Go SEA)

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