UCSF

ZINC28200729

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 35 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) 1.82 7.81 -26.04 2 9 0 115 491.573 7
Hi High (pH 8-9.5) 1.82 8.29 -70.09 1 9 -1 117 490.565 7

Activity (Go SEA)

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