UCSF

ZINC40176964

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 26 Yes

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Vendors

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) 2.50 3.93 -18.89 2 8 0 112 396.494 5
Hi High (pH 8-9.5) 2.02 2.32 -127.2 0 8 -2 122 394.478 5
Mid Mid (pH 6-8) 2.50 4.94 -58.48 1 8 -1 115 395.486 5

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