UCSF

ZINC09016166

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 30 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 7.15 -52.25 0 7 -1 82 405.478 6
Mid Mid (pH 6-8) 3.05 7.24 -61.65 1 7 0 83 406.486 6
Lo Low (pH 4.5-6) 2.59 9.8 -70.15 2 7 0 80 407.494 6

Activity (Go SEA)

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