UCSF

ZINC36279875

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 16 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) -0.73 -3.95 -59.11 4 7 0 115 226.236 5
Hi High (pH 8-9.5) -0.73 -4.94 -75.47 4 7 0 115 226.236 5
Mid Mid (pH 6-8) -1.19 -2.18 -53.27 5 7 1 111 227.244 5

Activity (Go SEA)

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