UCSF

ZINC13819459

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 27 Yes

CAS Number: 500735-47-7

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) 3.59 6.83 -12.3 4 8 0 108 370.457 8
Hi High (pH 8-9.5) 3.59 7.63 -54.01 3 8 -1 111 369.449 8
Lo Low (pH 4.5-6) 3.59 6.65 -26.13 5 8 1 109 371.465 8
Lo Low (pH 4.5-6) 3.59 7.1 -29.96 5 8 1 109 371.465 8

Activity (Go SEA)

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