UCSF

ZINC34691655

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 35 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) 1.20 2.38 -15.29 1 9 0 84 493.645 12
Mid Mid (pH 6-8) 1.20 4.71 -43.66 2 9 1 85 494.653 12
Lo Low (pH 4.5-6) 1.20 6.97 -112.78 3 9 2 86 495.661 12

Activity (Go SEA)

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