UCSF

ZINC36878579

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 0.62 4.13 -42.82 4 3 1 57 233.335 3
Hi High (pH 8-9.5) 0.62 3.79 -8.28 3 3 0 55 232.327 3

Activity (Go SEA)

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