UCSF

ZINC44886307

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 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) -1.18 -1.45 -50.7 2 10 -1 141 288.247 3
Mid Mid (pH 6-8) -0.72 -3.59 -94.81 1 10 -2 144 287.239 3
Lo Low (pH 4.5-6) -1.18 -1.19 -21.74 3 10 0 142 289.255 3

Activity (Go SEA)

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