UCSF

ZINC00200961

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 3.02 8.37 -17.01 1 4 0 47 293.37 4
Mid Mid (pH 6-8) 3.09 7.11 -40.54 2 4 1 52 294.378 4
Mid Mid (pH 6-8) 3.02 8.79 -37.1 2 4 1 48 294.378 4
Mid Mid (pH 6-8) 3.09 6.15 -29.03 2 4 1 52 294.378 4
Lo Low (pH 4.5-6) 3.09 7.53 -96.46 3 4 2 53 295.386 4

Activity (Go SEA)

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