UCSF

ZINC34885015

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -2.35 -4.83 -64.97 10 13 1 205 478.511 7
Hi High (pH 8-9.5) -1.86 -6.21 -55.12 8 13 -1 204 476.495 6
Mid Mid (pH 6-8) -2.35 -5.18 -29.62 9 13 0 204 477.503 7

Activity (Go SEA)

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