UCSF

ZINC31948505

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) -0.79 4.34 -63.7 2 7 -1 115 294.312 4
Hi High (pH 8-9.5) -0.33 2.33 -99.51 1 7 -2 118 293.304 4

Activity (Go SEA)

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