UCSF

ZINC36132634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 19 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) 0.14 3.5 -54.24 2 6 -1 98 267.305 5
Lo Low (pH 4.5-6) 0.14 2.44 -11.44 3 6 0 95 268.313 5

Activity (Go SEA)

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