UCSF

ZINC13689940

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 28 No

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) 3.05 9.05 -60.25 0 6 -1 86 393.444 4
Mid Mid (pH 6-8) 3.50 8.16 -34.02 1 6 0 84 394.452 3
Mid Mid (pH 6-8) 2.47 9.2 -22.8 0 6 0 80 394.452 4

Activity (Go SEA)

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