UCSF

ZINC36353198

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 30 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) 1.62 0.56 -53.98 1 10 -1 127 408.394 3
Ref Reference (pH 7) 1.44 3.31 -49.18 1 10 -1 123 408.394 3
Lo Low (pH 4.5-6) 1.17 2.45 -15.26 2 10 0 124 409.402 3
Lo Low (pH 4.5-6) 0.98 5.13 -14.82 2 10 0 120 409.402 3

Activity (Go SEA)

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