UCSF

ZINC19973879

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 29 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) 1.53 8.32 -78.67 1 7 0 87 395.459 8
Hi High (pH 8-9.5) 1.53 5.79 -58.96 0 7 -1 86 394.451 8
Lo Low (pH 4.5-6) 1.53 7.49 -59.68 2 7 1 84 396.467 8

Activity (Go SEA)

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