UCSF

ZINC30671456

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 26 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) 3.76 10.34 -54.63 1 6 -1 73 388.473 5
Hi High (pH 8-9.5) 3.83 9.43 -93.13 0 6 -2 79 387.465 5
Lo Low (pH 4.5-6) 3.04 10.49 -23.02 2 6 0 76 389.481 5

Activity (Go SEA)

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