UCSF

ZINC02604583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 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) 3.10 7.15 -55.09 2 7 -1 99 387.485 8
Lo Low (pH 4.5-6) 2.64 9.13 -19.09 3 7 0 96 388.493 8

Activity (Go SEA)

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