UCSF

ZINC45701380

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 1.02 5.12 -91.29 3 3 2 24 217.401 9
Hi High (pH 8-9.5) 1.02 3.76 -31.48 2 3 1 20 216.393 9
Mid Mid (pH 6-8) 1.02 6.22 -75.02 3 3 2 21 217.401 9
Mid Mid (pH 6-8) 1.02 7.56 -174.54 4 3 3 25 218.409 9

Activity (Go SEA)

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