UCSF

ZINC20524038

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 18 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) 0.94 5.78 -99.81 3 4 2 40 258.406 8
Mid Mid (pH 6-8) 0.94 5.89 -31.52 2 4 1 35 257.398 8
Mid Mid (pH 6-8) 0.94 3.43 -36.74 2 4 1 38 257.398 8
Lo Low (pH 4.5-6) 0.95 6.04 -100.16 3 4 2 40 258.406 8

Activity (Go SEA)

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