UCSF

ZINC27740060

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 20 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) 2.11 5.19 -19.01 1 6 0 88 306.372 5
Hi High (pH 8-9.5) 2.18 4.29 -41.54 0 6 -1 94 305.364 5

Activity (Go SEA)

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