UCSF

ZINC09361247

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 34 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) 3.00 9.8 -58.43 0 7 -1 92 457.506 10
Mid Mid (pH 6-8) 3.44 9.83 -21.52 1 7 0 89 458.514 9
Lo Low (pH 4.5-6) 3.44 10.11 -59.03 2 7 1 90 459.522 9

Activity (Go SEA)

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