UCSF

ZINC00375236

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 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) 1.01 4.38 -8.61 1 3 0 46 191.23 3
Mid Mid (pH 6-8) 1.07 2.23 -30.97 2 3 1 51 192.238 3
Mid Mid (pH 6-8) 1.07 3.1 -31.55 2 3 1 51 192.238 3

Activity (Go SEA)

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