UCSF

ZINC23361317

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 22 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) 1.80 4.97 -49.23 3 4 1 49 302.442 4
Hi High (pH 8-9.5) 1.80 4.01 -10.1 2 4 0 44 301.434 4
Lo Low (pH 4.5-6) 1.80 7.22 -122.69 4 4 2 50 303.45 4

Activity (Go SEA)

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