UCSF

ZINC34919793

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 3.32 10.16 -58.95 0 8 -1 101 501.559 11
Lo Low (pH 4.5-6) 3.32 9.41 -16.93 1 8 0 98 502.567 11
Lo Low (pH 4.5-6) 3.32 9.88 -46.18 2 8 1 99 503.575 11

Activity (Go SEA)

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