UCSF

ZINC08996510

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 31 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) 3.99 10.91 -71.11 1 6 0 74 487.394 8
Hi High (pH 8-9.5) 3.99 8.37 -58.9 0 6 -1 73 486.386 8
Mid Mid (pH 6-8) 4.43 10.55 -45.2 2 6 1 71 488.402 7

Activity (Go SEA)

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