UCSF

ZINC70613601

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 14 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) 1.81 4.89 -103.04 5 3 2 56 199.342 4
Hi High (pH 8-9.5) 1.81 2.98 -32.2 4 3 1 55 198.334 4

Activity (Go SEA)

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