UCSF

ZINC33775445

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 38 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) 3.11 13.17 -74.21 1 8 0 96 515.61 12
Hi High (pH 8-9.5) 3.11 10.86 -54.31 0 8 -1 95 514.602 12
Lo Low (pH 4.5-6) 3.11 11.88 -64.14 2 8 1 93 516.618 12

Activity (Go SEA)

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