UCSF

ZINC19973901

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 2.03 8.69 -72.9 1 7 0 87 409.486 9
Hi High (pH 8-9.5) 2.03 6.15 -59.76 0 7 -1 86 408.478 9
Lo Low (pH 4.5-6) 2.03 7.86 -54 2 7 1 84 410.494 9

Activity (Go SEA)

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