UCSF

ZINC44830645

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 1.47 5.08 -8.21 2 5 0 62 312.464 4
Lo Low (pH 4.5-6) 1.47 5.53 -31.95 3 5 1 64 313.472 4

Activity (Go SEA)

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