UCSF

ZINC35499971

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 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) 2.31 7.03 -43.52 2 3 1 34 230.335 4
Hi High (pH 8-9.5) 2.31 6.11 -6.02 1 3 0 30 229.327 4

Activity (Go SEA)

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