UCSF

ZINC35515423

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 36 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) 3.54 9.37 -12.95 0 8 0 81 492.572 8
Mid Mid (pH 6-8) 3.54 11.64 -47.67 1 8 1 83 493.58 8

Activity (Go SEA)

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