UCSF

ZINC16741547

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 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) 4.51 14.89 -75.22 1 6 0 74 468.553 9
Hi High (pH 8-9.5) 4.51 12.35 -57.26 0 6 -1 73 467.545 9
Mid Mid (pH 6-8) 4.51 13.78 -59.76 2 6 1 71 469.561 8
Mid Mid (pH 6-8) 3.93 14.76 -63.95 1 6 1 68 469.561 9

Activity (Go SEA)

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