UCSF

ZINC43259094

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 2.00 2.44 -43.57 5 4 1 74 361.329 5
Hi High (pH 8-9.5) 2.00 1.76 -8.34 4 4 0 72 360.321 5
Lo Low (pH 4.5-6) 2.00 4.44 -127.51 6 4 2 75 362.337 5

Activity (Go SEA)

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