UCSF

ZINC36876308

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.25 4.61 -58.16 4 6 1 102 267.696 4
Lo Low (pH 4.5-6) 1.25 5.06 -127.05 5 6 2 103 268.704 4

Activity (Go SEA)

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