UCSF

ZINC12025009

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.66 9.19 -51.62 2 7 1 88 491.033 6
Hi High (pH 8-9.5) 3.66 6.83 -19.84 1 7 0 87 490.025 6

Activity (Go SEA)

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