UCSF

ZINC21807325

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 4.18 5.96 -10.12 2 4 0 59 312.152 3
Hi High (pH 8-9.5) 4.18 6.86 -54.54 1 4 -1 61 311.144 3

Activity (Go SEA)

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