UCSF

ZINC45663749

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 3.03 8.59 -89.69 3 2 2 21 242.432 8
Hi High (pH 8-9.5) 3.03 7.18 -34.09 2 2 1 16 241.424 8

Activity (Go SEA)

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