UCSF

ZINC59695398

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 18 Yes

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) 1.82 9.4 -99.45 0 5 -2 97 256.298 11
Lo Low (pH 4.5-6) 1.82 7.42 -53.93 1 5 -1 94 257.306 11

Activity (Go SEA)

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