UCSF

ZINC45663440

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 20 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) 2.28 5.93 -37.54 3 4 1 43 280.436 10
Hi High (pH 8-9.5) 2.28 3.46 -4.16 2 4 0 42 279.428 10
Mid Mid (pH 6-8) 2.28 8.07 -109.8 4 4 2 44 281.444 10
Mid Mid (pH 6-8) 2.28 5.6 -37.22 3 4 1 43 280.436 10

Activity (Go SEA)

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