UCSF

ZINC31466691

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 27 No

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) 3.29 9.38 -36.97 3 5 1 63 370.517 8
Hi High (pH 8-9.5) 3.29 7.25 -10.31 2 5 0 61 369.509 8

Activity (Go SEA)

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