UCSF

ZINC44678650

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 2.39 7.61 -83.13 3 3 2 24 267.461 3
Hi High (pH 8-9.5) 2.39 8.4 -98.19 3 3 2 21 267.461 3
Hi High (pH 8-9.5) 2.39 5.28 -32.1 2 3 1 23 266.453 3
Lo Low (pH 4.5-6) 2.39 9.36 -200.59 4 3 3 25 268.469 3

Activity (Go SEA)

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