UCSF

ZINC09329347

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 36 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) 3.41 10.49 -51.2 0 11 -1 155 508.488 8
Mid Mid (pH 6-8) 2.83 0.84 -18.13 0 11 0 148 509.496 8
Mid Mid (pH 6-8) 3.86 10.44 -22.32 1 11 0 152 509.496 7

Activity (Go SEA)

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