UCSF

ZINC20243078

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 36 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) 4.08 10.7 -59.85 2 7 1 88 527.066 8
Hi High (pH 8-9.5) 4.08 8.4 -19.96 1 7 0 87 526.058 8

Activity (Go SEA)

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