UCSF

ZINC33595818

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 32 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) 4.08 10.57 -61.02 4 6 1 94 435.592 11
Hi High (pH 8-9.5) 4.53 10.31 -83.87 3 6 0 97 434.584 11

Activity (Go SEA)

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