UCSF

ZINC05424045

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 26 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) 3.15 10.31 -40.83 1 5 -1 94 361.458 7
Hi High (pH 8-9.5) 2.56 10.23 -49.76 0 5 -1 91 361.458 7
Mid Mid (pH 6-8) 3.15 9.4 -47.43 1 5 -1 94 361.458 6

Activity (Go SEA)

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