UCSF

ZINC40496258

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 1.15 1.66 -26.99 2 7 0 101 312.376 4
Hi High (pH 8-9.5) 1.22 0.06 -123.8 0 7 -2 109 310.36 4
Hi High (pH 8-9.5) 1.22 -0.01 -59.44 1 7 -1 107 311.368 4
Mid Mid (pH 6-8) 1.15 1.73 -61.4 1 7 -1 103 311.368 4

Activity (Go SEA)

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