UCSF

ZINC70616379

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 15 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) -0.61 5.45 -46.74 2 6 1 63 205.245 1
Hi High (pH 8-9.5) -0.61 4.16 -9.99 1 6 0 58 204.237 1

Activity (Go SEA)

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