UCSF

ZINC09042316

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 20 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) 3.42 3.42 -10.22 2 5 0 79 286.312 2
Mid Mid (pH 6-8) 2.93 3.31 -49.21 1 5 -1 77 285.304 3
Lo Low (pH 4.5-6) 2.93 3.73 -17.13 2 5 0 75 286.312 3

Activity (Go SEA)

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