UCSF

ZINC34885607

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 33 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) -1.99 -4.67 -64.16 10 13 1 205 486.575 12
Hi High (pH 8-9.5) -1.26 -5.43 -65.48 8 13 -1 201 484.559 12
Mid Mid (pH 6-8) -1.99 -5.01 -31.27 9 13 0 204 485.567 12

Activity (Go SEA)

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