UCSF

ZINC20231587

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.89 9.94 -77.97 1 6 0 74 394.471 7
Hi High (pH 8-9.5) 2.89 7.4 -61 0 6 -1 73 393.463 7
Lo Low (pH 4.5-6) 2.89 9.11 -55.88 2 6 1 71 395.479 7

Activity (Go SEA)

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