UCSF

ZINC00859033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 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) 2.24 6.7 -42.05 1 4 1 42 313.418 3
Hi High (pH 8-9.5) 2.24 4.29 -8.19 0 4 0 41 312.41 3

Activity (Go SEA)

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