UCSF

ZINC70136825

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2011 21 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) 6.59 11.13 -42.29 2 2 1 26 422.225 10
Hi High (pH 8-9.5) 6.59 11.1 -1.89 1 2 0 21 421.217 10

Activity (Go SEA)

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