UCSF

ZINC04292961

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 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) 4.20 6.3 -11.12 3 6 0 91 361.401 5
Hi High (pH 8-9.5) 4.20 7.07 -53.29 2 6 -1 94 360.393 5
Lo Low (pH 4.5-6) 4.20 6.63 -34.28 4 6 1 92 362.409 5

Activity (Go SEA)

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