UCSF

ZINC08739340

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 27 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) 4.25 5.82 -11.94 1 6 0 61 382.489 4
Lo Low (pH 4.5-6) 4.25 7.98 -38.29 2 6 1 62 383.497 4

Activity (Go SEA)

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