UCSF

ZINC34941276

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) 3.66 9.03 -56.08 0 10 -1 128 508.551 11
Mid Mid (pH 6-8) 3.66 11.32 -71.56 1 10 0 129 509.559 11
Lo Low (pH 4.5-6) 3.66 10.54 -59.64 2 10 1 126 510.567 11

Activity (Go SEA)

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