UCSF

ZINC35151277

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 2.99 8.42 -27.88 2 3 1 26 291.459 8
Hi High (pH 8-9.5) 2.99 8.15 -1.37 1 3 0 24 290.451 8
Mid Mid (pH 6-8) 2.99 7.52 -35.3 2 3 1 29 291.459 8
Mid Mid (pH 6-8) 2.99 9.13 -113.22 3 3 2 30 292.467 8

Activity (Go SEA)

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