UCSF

ZINC03059542

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 27 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) 4.16 6.54 -10.96 3 6 0 91 361.401 5
Hi High (pH 8-9.5) 4.16 7.31 -53.5 2 6 -1 94 360.393 5
Lo Low (pH 4.5-6) 4.16 6.88 -34.05 4 6 1 92 362.409 5

Activity (Go SEA)

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